1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine

C49H97N3 — CID 142268643

IUPAC1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine
SMILESC=C(C)C(CCC)NC(=C)C(C)C1C(CC)C1(C)C.C=C(C)NC(C(=C)C)C1CCCCC1.C=CCNC=C.CC.CC.CC.CC1CCCC1C
InChIInChI=1S/C18H33N.C13H23N.C7H14.C5H9N.3C2H6/c1-9-11-16(12(3)4)19-14(6)13(5)17-15(10-2)18(17,7)8;1-10(2)13(14-11(3)4)12-8-6-5-7-9-12;1-6-4-3-5-7(6)2;1-3-5-6-4-2;3*1-2/h13,15-17,19H,3,6,9-11H2,1-2,4-5,7-8H3;12-14H,1,3,5-9H2,2,4H3;6-7H,3-5H2,1-2H3;3-4,6H,1-2,5H2;3*1-2H3
InChIKeyNCUPFXAZTCYITP-UHFFFAOYSA-N
MW728.34 g/mol
LogP15.21
Rot. Bonds15

About 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine

1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine (PubChem CID 142268643) has the molecular formula C49H97N3 and a molecular weight of 728.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine
PubChem CID142268643
Molecular FormulaC49H97N3
Molecular Weight728.34 g/mol
Exact Mass727.77
IUPAC Name1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine
SMILESC=C(C)C(CCC)NC(=C)C(C)C1C(CC)C1(C)C.C=C(C)NC(C(=C)C)C1CCCCC1.C=CCNC=C.CC.CC.CC.CC1CCCC1C
InChIInChI=1S/C18H33N.C13H23N.C7H14.C5H9N.3C2H6/c1-9-11-16(12(3)4)19-14(6)13(5)17-15(10-2)18(17,7)8;1-10(2)13(14-11(3)4)12-8-6-5-7-9-12;1-6-4-3-5-7(6)2;1-3-5-6-4-2;3*1-2/h13,15-17,19H,3,6,9-11H2,1-2,4-5,7-8H3;12-14H,1,3,5-9H2,2,4H3;6-7H,3-5H2,1-2H3;3-4,6H,1-2,5H2;3*1-2H3
InChIKeyNCUPFXAZTCYITP-UHFFFAOYSA-N
XLogP15.21
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.34
LogP ≤ 515.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine with MolForge

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Related Compounds

but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene
CID 142268322
1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine
CID 143358628
1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene
CID 142268697
1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane
CID 143350927
2-N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-2-N-methyl-1-(1-methylcyclohexyl)-1-N-[1-(3-methylheptan-4-ylamino)ethenyl]prop-2-ene-1,2-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;ethane;methane
CID 143352518
2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane
CID 142110052
5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,5-trimethyl-4,7-dimethylidene-N-prop-1-en-2-ylnon-8-en-3-amine;4-methylidenehexylcyclopentane
CID 143358126
3-[2-cyclohexyl-2-[(3-methyl-2-oxobutanoyl)amino]acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 21017053
(1R,2S)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-N-[(3R)-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58605741
2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
CID 62695331
(2S)-3-[(2S)-2-(butan-2-ylcarbamoylamino)-2-cyclohexylacetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58909104
(2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]amino]-4-methylpentanoyl]amino]-2-oxohexanoyl]amino]acetyl]amino]pent-4-enoic acid
CID 89390569

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine?
The IUPAC name of 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine (CID 142268643) is 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine.
What is the SMILES notation for 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine?
The canonical SMILES for 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine is C=C(C)C(CCC)NC(=C)C(C)C1C(CC)C1(C)C.C=C(C)NC(C(=C)C)C1CCCCC1.C=CCNC=C.CC.CC.CC.CC1CCCC1C.
What is the InChIKey of 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine?
The InChIKey is NCUPFXAZTCYITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N.C13H23N.C7H14.C5H9N.3C2H6/c1-9-11-16(12(3)4)19-14(6)13(5)17-15(10-2)18(17,7)8;1-10(2)13(14-11(3)4)12-8-6-5-7-9-12;1-6-4-3-5-7(6)2;1-3-5-6-4-2;3*1-2/h13,15-17,19H,3,6,9-11H2,1-2,4-5,7-8H3;12-14H,1,3,5-9H2,2,4H3;6-7H,3-5H2,1-2H3;3-4,6H,1-2,5H2;3*1-2H3.
What are the key properties of 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine?
1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine has a molecular weight of 728.34 g/mol, XLogP of 15.21, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine is sourced from PubChem (CID 142268643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).