but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane

C65H132N4 — CID 143353222

IUPACbut-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane
SMILESC=C.C=C/C=C\C.C=CC.C=CCC.C=CCNC(=C)C(=C)C(CCCC)NC(=C)C1CCCN1C(=C)C(NC(=C)C)C(C)(C)C.CC.CC.CC.CC.CCCC(C)C(C)(C)C.CCCCCC
InChIInChI=1S/C28H48N4.C9H20.C6H14.C5H8.C4H8.C3H6.4C2H6.C2H4/c1-12-14-16-25(21(5)22(6)29-18-13-2)31-23(7)26-17-15-19-32(26)24(8)27(28(9,10)11)30-20(3)4;1-6-7-8(2)9(3,4)5;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2;5*1-2/h13,25-27,29-31H,2-3,5-8,12,14-19H2,1,4,9-11H3;8H,6-7H2,1-5H3;3-6H2,1-2H3;3-5H,1H2,2H3;3H,1,4H2,2H3;3H,1H2,2H3;4*1-2H3;1-2H2/b;;;5-4-;;;;;;;
InChIKeyACYNQHIOGKPJGT-FJGBREEXSA-N
MW969.80 g/mol
LogP21.50
Rot. Bonds22

About but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane

but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane (PubChem CID 143353222) has the molecular formula C65H132N4 and a molecular weight of 969.80 g/mol. Its IUPAC name is but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane.

Molecular Properties

Compound Namebut-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane
PubChem CID143353222
Molecular FormulaC65H132N4
Molecular Weight969.80 g/mol
Exact Mass969.05
IUPAC Namebut-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane
SMILESC=C.C=C/C=C\C.C=CC.C=CCC.C=CCNC(=C)C(=C)C(CCCC)NC(=C)C1CCCN1C(=C)C(NC(=C)C)C(C)(C)C.CC.CC.CC.CC.CCCC(C)C(C)(C)C.CCCCCC
InChIInChI=1S/C28H48N4.C9H20.C6H14.C5H8.C4H8.C3H6.4C2H6.C2H4/c1-12-14-16-25(21(5)22(6)29-18-13-2)31-23(7)26-17-15-19-32(26)24(8)27(28(9,10)11)30-20(3)4;1-6-7-8(2)9(3,4)5;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2;5*1-2/h13,25-27,29-31H,2-3,5-8,12,14-19H2,1,4,9-11H3;8H,6-7H2,1-5H3;3-6H2,1-2H3;3-5H,1H2,2H3;3H,1,4H2,2H3;3H,1H2,2H3;4*1-2H3;1-2H2/b;;;5-4-;;;;;;;
InChIKeyACYNQHIOGKPJGT-FJGBREEXSA-N
XLogP21.50
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.80
LogP ≤ 521.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-2-[[amino(hydroxy)methyl]amino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]pyrrolidine-2-carboxamide
CID 143361213
tert-butyl 2-[[(2S)-1-[(2S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;ethane;2-methylpropane;propane
CID 143353319
(2S)-1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;butane;ethane;propan-2-amine
CID 143362861
(2S)-1-[(2S)-2-[[[(2S)-1-(2,5-dioxoimidazolidin-1-yl)-3,3-dimethylbutan-2-yl]-methylcarbamoyl]amino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)nonan-3-yl]pyrrolidine-2-carboxamide
CID 143351998
1-[2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;propane
CID 162178931
1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane
CID 143354817
1-acetyl-N-[7-fluoro-1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]pyrrolidine-2-carboxamide;1-(3,3-dimethylbutan-2-yl)-3-(1-propan-2-ylsulfinylbutan-2-yl)urea;ethane;pentane
CID 143105593
1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[(E)-2-methyl-5-(prop-2-enylcarbamoyl)oct-5-en-4-yl]pyrrolidine-2-carboxamide;ethane;methanol
CID 143362914
(2S)-1-[3,3-dimethyl-2-[(2-morpholin-4-yl-2-oxoethyl)carbamoylamino]butanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide
CID 143354694
(2S)-1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide
CID 143362862
(2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 59234290
N-[(2S)-1-[[(3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(pentylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 91101546

Frequently Asked Questions

What is the IUPAC name of but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane?
The IUPAC name of but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane (CID 143353222) is but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane.
What is the SMILES notation for but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane?
The canonical SMILES for but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane is C=C.C=C/C=C\C.C=CC.C=CCC.C=CCNC(=C)C(=C)C(CCCC)NC(=C)C1CCCN1C(=C)C(NC(=C)C)C(C)(C)C.CC.CC.CC.CC.CCCC(C)C(C)(C)C.CCCCCC.
What is the InChIKey of but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane?
The InChIKey is ACYNQHIOGKPJGT-FJGBREEXSA-N. The full InChI is InChI=1S/C28H48N4.C9H20.C6H14.C5H8.C4H8.C3H6.4C2H6.C2H4/c1-12-14-16-25(21(5)22(6)29-18-13-2)31-23(7)26-17-15-19-32(26)24(8)27(28(9,10)11)30-20(3)4;1-6-7-8(2)9(3,4)5;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2;5*1-2/h13,25-27,29-31H,2-3,5-8,12,14-19H2,1,4,9-11H3;8H,6-7H2,1-5H3;3-6H2,1-2H3;3-5H,1H2,2H3;3H,1,4H2,2H3;3H,1H2,2H3;4*1-2H3;1-2H2/b;;;5-4-;;;;;;;.
What are the key properties of but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane?
but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane has a molecular weight of 969.80 g/mol, XLogP of 21.50, 22 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane is sourced from PubChem (CID 143353222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).