N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene

C32H53N3 — CID 143604891

IUPACN-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene
SMILESC=C(N)/N=C(C)\C=C(/C)N(CCC)CC(C)C(C)C.C=CC.C=c1cccc(CC)/c1=C/C=C\C
InChIInChI=1S/C16H31N3.C13H16.C3H6/c1-8-9-19(11-13(4)12(2)3)15(6)10-14(5)18-16(7)17;1-4-6-10-13-11(3)8-7-9-12(13)5-2;1-3-2/h10,12-13H,7-9,11,17H2,1-6H3;4,6-10H,3,5H2,1-2H3;3H,1H2,2H3/b15-10+,18-14-;6-4-,13-10+;
InChIKeyIFLHFBDYFDMWLB-DHSVLTMBSA-N
MW479.80 g/mol
LogP6.99
Rot. Bonds10

About N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene

N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene (PubChem CID 143604891) has the molecular formula C32H53N3 and a molecular weight of 479.80 g/mol. Its IUPAC name is N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene.

Molecular Properties

Compound NameN-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene
PubChem CID143604891
Molecular FormulaC32H53N3
Molecular Weight479.80 g/mol
Exact Mass479.42
IUPAC NameN-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene
SMILESC=C(N)/N=C(C)\C=C(/C)N(CCC)CC(C)C(C)C.C=CC.C=c1cccc(CC)/c1=C/C=C\C
InChIInChI=1S/C16H31N3.C13H16.C3H6/c1-8-9-19(11-13(4)12(2)3)15(6)10-14(5)18-16(7)17;1-4-6-10-13-11(3)8-7-9-12(13)5-2;1-3-2/h10,12-13H,7-9,11,17H2,1-6H3;4,6-10H,3,5H2,1-2H3;3H,1H2,2H3/b15-10+,18-14-;6-4-,13-10+;
InChIKeyIFLHFBDYFDMWLB-DHSVLTMBSA-N
XLogP6.99
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.80
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene with MolForge

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Related Compounds

(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane
CID 142583749
ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine
CID 143341978
N-[(1Z,3E)-1-[7-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-3-yl]-3,4-dimethyl-4,5-dihydro-3H-azepin-2-yl]penta-1,3-dien-3-yl]-2-methyl-N-propylhexan-1-amine
CID 170021584
[7-[3-[[4-(Diethylamino)cyclohexa-1,3-dien-1-yl]methylidene]cyclopenten-1-yl]-6-methylhepta-1,4,6-trien-3-ylidene]-diethylazanium
CID 173495315
(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine
CID 143341979

Frequently Asked Questions

What is the IUPAC name of N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene?
The IUPAC name of N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene (CID 143604891) is N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene.
What is the SMILES notation for N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene?
The canonical SMILES for N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene is C=C(N)/N=C(C)\C=C(/C)N(CCC)CC(C)C(C)C.C=CC.C=c1cccc(CC)/c1=C/C=C\C.
What is the InChIKey of N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene?
The InChIKey is IFLHFBDYFDMWLB-DHSVLTMBSA-N. The full InChI is InChI=1S/C16H31N3.C13H16.C3H6/c1-8-9-19(11-13(4)12(2)3)15(6)10-14(5)18-16(7)17;1-4-6-10-13-11(3)8-7-9-12(13)5-2;1-3-2/h10,12-13H,7-9,11,17H2,1-6H3;4,6-10H,3,5H2,1-2H3;3H,1H2,2H3/b15-10+,18-14-;6-4-,13-10+;.
What are the key properties of N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene?
N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene has a molecular weight of 479.80 g/mol, XLogP of 6.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene is sourced from PubChem (CID 143604891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).