ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide

C24H50N2O — CID 142110016

IUPACethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide
SMILESC=C(CC(=O)NC(CCCC)C(=C)C)C(CC)CCC.C=CN.CC.CC
InChIInChI=1S/C18H33NO.C2H5N.2C2H6/c1-7-10-12-17(14(4)5)19-18(20)13-15(6)16(9-3)11-8-2;1-2-3;2*1-2/h16-17H,4,6-13H2,1-3,5H3,(H,19,20);2H,1,3H2;2*1-2H3
InChIKeyIUWSANQESLYSPH-UHFFFAOYSA-N
MW382.68 g/mol
LogP7.15
Rot. Bonds11

About ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide

ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide (PubChem CID 142110016) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide.

Molecular Properties

Compound Nameethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide
PubChem CID142110016
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC Nameethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide
SMILESC=C(CC(=O)NC(CCCC)C(=C)C)C(CC)CCC.C=CN.CC.CC
InChIInChI=1S/C18H33NO.C2H5N.2C2H6/c1-7-10-12-17(14(4)5)19-18(20)13-15(6)16(9-3)11-8-2;1-2-3;2*1-2/h16-17H,4,6-13H2,1-3,5H3,(H,19,20);2H,1,3H2;2*1-2H3
InChIKeyIUWSANQESLYSPH-UHFFFAOYSA-N
XLogP7.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-2-ethyl-N-((S)-4-ethyloct-7-en-1-yl)-6-methylhept-6-enamide
CID 163319716
2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide
CID 21366379
2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide
CID 21366380
4-methyl-N-propan-2-yl-2-propylpent-4-enamide
CID 21366395
(3R)-3-(2-methylpropyl)-N'-[(3S)-oct-1-en-3-yl]pentanediamide
CID 87267020
N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide
CID 89209492
3-methylidene-N-propan-2-ylcyclohexane-1-carboxamide
CID 90892779
N-(2,4-dimethylpent-1-en-3-yl)nonanamide
CID 126715121
N-[(5E)-4-amino-5-[(Z)-2-aminoethenyl]-2-methylocta-5,7-dienyl]-2-butyloctanamide
CID 129159380
N-[2,6-bis(butylamino)-6-oxohex-1-en-3-yl]-2-ethylhexanamide
CID 138651636
(E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide
CID 138737304
N-(6-amino-5-ethylhept-6-en-3-yl)-2-methylpentanamide
CID 141948224

Frequently Asked Questions

What is the IUPAC name of ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide?
The IUPAC name of ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide (CID 142110016) is ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide.
What is the SMILES notation for ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide?
The canonical SMILES for ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide is C=C(CC(=O)NC(CCCC)C(=C)C)C(CC)CCC.C=CN.CC.CC.
What is the InChIKey of ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide?
The InChIKey is IUWSANQESLYSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO.C2H5N.2C2H6/c1-7-10-12-17(14(4)5)19-18(20)13-15(6)16(9-3)11-8-2;1-2-3;2*1-2/h16-17H,4,6-13H2,1-3,5H3,(H,19,20);2H,1,3H2;2*1-2H3.
What are the key properties of ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide?
ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide has a molecular weight of 382.68 g/mol, XLogP of 7.15, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide is sourced from PubChem (CID 142110016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).