(5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene

C20H35N — CID 143866472

IUPAC(5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene
SMILESC=C/C(=C\C=C/C)C(C(C)C=C)N(CC)CCC.C=CC
InChIInChI=1S/C17H29N.C3H6/c1-7-12-13-16(10-4)17(15(6)9-3)18(11-5)14-8-2;1-3-2/h7,9-10,12-13,15,17H,3-4,8,11,14H2,1-2,5-6H3;3H,1H2,2H3/b12-7-,16-13+;
InChIKeyKQZOKZRLAZVDAM-DSJYLXBTSA-N
MW289.51 g/mol
LogP5.79
Rot. Bonds9

About (5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene

(5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene (PubChem CID 143866472) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene.

Molecular Properties

Compound Name(5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene
PubChem CID143866472
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene
SMILESC=C/C(=C\C=C/C)C(C(C)C=C)N(CC)CCC.C=CC
InChIInChI=1S/C17H29N.C3H6/c1-7-12-13-16(10-4)17(15(6)9-3)18(11-5)14-8-2;1-3-2/h7,9-10,12-13,15,17H,3-4,8,11,14H2,1-2,5-6H3;3H,1H2,2H3/b12-7-,16-13+;
InChIKeyKQZOKZRLAZVDAM-DSJYLXBTSA-N
XLogP5.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene with MolForge

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Related Compounds

N-[1-(4-ethyl-5-methylcyclohepta-1,3,6-trien-1-yl)ethenyl]-2-fluoro-N,2-dimethylpentan-3-amine
CID 156543753
(Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine
CID 142340861
(3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine
CID 164546262
(2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine
CID 12807205
N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 13212526
N,N,3,7,11-pentamethyldodeca-2,4,10-trien-1-amine
CID 53692619
N,N,7-triethyl-3,11-dimethyltrideca-2,4,10-trien-1-amine
CID 53697344
N,N-diethyl 3,7,11-trimethyldodeca-2,4,10-trienylamine
CID 53837124
N,N-diethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine
CID 53979130
N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine
CID 54195042
N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine
CID 54557221
N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine
CID 57112797

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene?
The IUPAC name of (5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene (CID 143866472) is (5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene.
What is the SMILES notation for (5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene?
The canonical SMILES for (5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene is C=C/C(=C\C=C/C)C(C(C)C=C)N(CC)CCC.C=CC.
What is the InChIKey of (5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene?
The InChIKey is KQZOKZRLAZVDAM-DSJYLXBTSA-N. The full InChI is InChI=1S/C17H29N.C3H6/c1-7-12-13-16(10-4)17(15(6)9-3)18(11-5)14-8-2;1-3-2/h7,9-10,12-13,15,17H,3-4,8,11,14H2,1-2,5-6H3;3H,1H2,2H3/b12-7-,16-13+;.
What are the key properties of (5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene?
(5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene has a molecular weight of 289.51 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-5-ethenyl-N-ethyl-3-methyl-N-propylnona-1,5,7-trien-4-amine;prop-1-ene is sourced from PubChem (CID 143866472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).