5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine

C19H39N — CID 123477008

IUPAC5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine
SMILESC=C(C)CCC(C)NC(CC)CC(CC)CCCCC
InChIInChI=1S/C19H39N/c1-7-10-11-12-18(8-2)15-19(9-3)20-17(6)14-13-16(4)5/h17-20H,4,7-15H2,1-3,5-6H3
InChIKeyQVVXFRPIWNPRCA-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.10
Rot. Bonds13

About 5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine

5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine (PubChem CID 123477008) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine.

Molecular Properties

Compound Name5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine
PubChem CID123477008
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine
SMILESC=C(C)CCC(C)NC(CC)CC(CC)CCCCC
InChIInChI=1S/C19H39N/c1-7-10-11-12-18(8-2)15-19(9-3)20-17(6)14-13-16(4)5/h17-20H,4,7-15H2,1-3,5-6H3
InChIKeyQVVXFRPIWNPRCA-UHFFFAOYSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 46886826
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CID 172469915
4-Fluoro-2-(3-methylpent-1-en-2-yl)pyrrolidine
CID 123254453
2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine
CID 123961973
8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
CID 134571051
2-fluoro-3,3,10-trimethyl-N-(3-methylbut-1-en-2-yl)undec-10-en-1-amine
CID 169881078
2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine
CID 174252655
2,2-Diallylazacyclotridecane
CID 3640984
(2S,3R,7S)-7-ethyl-3-methyl-2-prop-2-enylazecane
CID 46218591
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359
(E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine
CID 101243485
(1s,2s,4r)-1-Methyl-4-(1-methylethenyl)-2-(methylamino)cyclohexane
CID 129868850

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine?
The IUPAC name of 5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine (CID 123477008) is 5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine.
What is the SMILES notation for 5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine?
The canonical SMILES for 5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine is C=C(C)CCC(C)NC(CC)CC(CC)CCCCC.
What is the InChIKey of 5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine?
The InChIKey is QVVXFRPIWNPRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-7-10-11-12-18(8-2)15-19(9-3)20-17(6)14-13-16(4)5/h17-20H,4,7-15H2,1-3,5-6H3.
What are the key properties of 5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine?
5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine has a molecular weight of 281.53 g/mol, XLogP of 6.10, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine is sourced from PubChem (CID 123477008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).