5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine

C16H31N — CID 134583642

IUPAC5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine
SMILESCCC(CCCCN(C)C(=C)C)C(=C)C(C)C
InChIInChI=1S/C16H31N/c1-8-16(15(6)13(2)3)11-9-10-12-17(7)14(4)5/h13,16H,4,6,8-12H2,1-3,5,7H3
InChIKeySIEJJTVWXPDJDR-UHFFFAOYSA-N
MW237.42 g/mol
LogP6.00
Rot. Bonds9

About 5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine

5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine (PubChem CID 134583642) has the molecular formula C16H31N and a molecular weight of 237.42 g/mol. Its IUPAC name is 5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine.

Molecular Properties

Compound Name5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine
PubChem CID134583642
Molecular FormulaC16H31N
Molecular Weight237.42 g/mol
Exact Mass237.25
IUPAC Name5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine
SMILESCCC(CCCCN(C)C(=C)C)C(=C)C(C)C
InChIInChI=1S/C16H31N/c1-8-16(15(6)13(2)3)11-9-10-12-17(7)14(4)5/h13,16H,4,6,8-12H2,1-3,5,7H3
InChIKeySIEJJTVWXPDJDR-UHFFFAOYSA-N
XLogP6.00
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity240

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.42
LogP ≤ 56.00
H-Bond Donors ≤ 50
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

N-ethyl-N-(4-fluoro-4-methylpentyl)-9-methyl-8-methylideneoctadecan-1-amine
CID 145405414
3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine
CID 146229451
6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine
CID 155274657
N-[3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-yl]-N,2-dimethylprop-2-en-1-amine
CID 156426138
3-butyl-N-fluoro-N-methyloct-1-en-2-amine
CID 167064835
1,3-Bis(prop-1-en-2-yl)piperidine
CID 20654758
N-[[(1S,2S)-2-(2,4-dimethylcyclohex-3-en-1-yl)cyclopropyl]methyl]-N-methylprop-1-en-2-amine
CID 68302293
N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 68302295
1,3-dipentyl-2,4-bis(prop-2-enyl)-4H-pyridine
CID 69776635
N,N,3-triethylhept-1-en-2-amine
CID 88971990
(3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine
CID 89311785
N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine
CID 90868674

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine?
The IUPAC name of 5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine (CID 134583642) is 5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine.
What is the SMILES notation for 5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine?
The canonical SMILES for 5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine is CCC(CCCCN(C)C(=C)C)C(=C)C(C)C.
What is the InChIKey of 5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine?
The InChIKey is SIEJJTVWXPDJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-8-16(15(6)13(2)3)11-9-10-12-17(7)14(4)5/h13,16H,4,6,8-12H2,1-3,5,7H3.
What are the key properties of 5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine?
5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine has a molecular weight of 237.42 g/mol, XLogP of 6.00, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,7-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-1-amine is sourced from PubChem (CID 134583642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).