3-prop-1-en-2-yl-N-propyldecan-2-amine

C16H33N — CID 123855239

IUPAC3-prop-1-en-2-yl-N-propyldecan-2-amine
SMILESCCCCCCCC(C(C)NCCC)C(=C)C
InChIInChI=1S/C16H33N/c1-6-8-9-10-11-12-16(14(3)4)15(5)17-13-7-2/h15-17H,3,6-13H2,1-2,4-5H3
InChIKeySCKGNVONYAEYFB-UHFFFAOYSA-N
MW239.44 g/mol
LogP6.20
Rot. Bonds11

About 3-prop-1-en-2-yl-N-propyldecan-2-amine

3-prop-1-en-2-yl-N-propyldecan-2-amine (PubChem CID 123855239) has the molecular formula C16H33N and a molecular weight of 239.44 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-N-propyldecan-2-amine.

Molecular Properties

Compound Name3-prop-1-en-2-yl-N-propyldecan-2-amine
PubChem CID123855239
Molecular FormulaC16H33N
Molecular Weight239.44 g/mol
Exact Mass239.26
IUPAC Name3-prop-1-en-2-yl-N-propyldecan-2-amine
SMILESCCCCCCCC(C(C)NCCC)C(=C)C
InChIInChI=1S/C16H33N/c1-6-8-9-10-11-12-16(14(3)4)15(5)17-13-7-2/h15-17H,3,6-13H2,1-2,4-5H3
InChIKeySCKGNVONYAEYFB-UHFFFAOYSA-N
XLogP6.20
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity186

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.44
LogP ≤ 56.20
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

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
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 3-prop-1-en-2-yl-N-propyldecan-2-amine?
The IUPAC name of 3-prop-1-en-2-yl-N-propyldecan-2-amine (CID 123855239) is 3-prop-1-en-2-yl-N-propyldecan-2-amine.
What is the SMILES notation for 3-prop-1-en-2-yl-N-propyldecan-2-amine?
The canonical SMILES for 3-prop-1-en-2-yl-N-propyldecan-2-amine is CCCCCCCC(C(C)NCCC)C(=C)C.
What is the InChIKey of 3-prop-1-en-2-yl-N-propyldecan-2-amine?
The InChIKey is SCKGNVONYAEYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-8-9-10-11-12-16(14(3)4)15(5)17-13-7-2/h15-17H,3,6-13H2,1-2,4-5H3.
What are the key properties of 3-prop-1-en-2-yl-N-propyldecan-2-amine?
3-prop-1-en-2-yl-N-propyldecan-2-amine has a molecular weight of 239.44 g/mol, XLogP of 6.20, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-N-propyldecan-2-amine is sourced from PubChem (CID 123855239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).