7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine

C16H31N — CID 130193618

IUPAC7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine
SMILESC=C(CC(C)C)NCCCCCC(=C)C(C)C
InChIInChI=1S/C16H31N/c1-13(2)12-16(6)17-11-9-7-8-10-15(5)14(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyKALJCQVPVQGBGP-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.91
Rot. Bonds10

About 7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine

7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine (PubChem CID 130193618) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine.

Molecular Properties

Compound Name7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine
PubChem CID130193618
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine
SMILESC=C(CC(C)C)NCCCCCC(=C)C(C)C
InChIInChI=1S/C16H31N/c1-13(2)12-16(6)17-11-9-7-8-10-15(5)14(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyKALJCQVPVQGBGP-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.91
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

2-Methylamino-6-methylhepten
CID 23616912
N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
CID 126559121
5-fluoro-6-methyl-N-(3-methylbuta-1,3-dien-2-yl)heptan-1-amine
CID 135276332
N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine
CID 138459920
2-fluoro-2-methyl-N-[4-[(1S,4S)-4-methylcycloheptyl]but-1-en-2-yl]propan-1-amine
CID 156099681
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
3,7-Dimethyl-2-methylideneazepane
CID 53994160
N-ethyl-6-methylhepta-1,6-dien-2-amine
CID 57974006
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine
CID 58185963
2-Methylidene-6-propan-2-ylpiperidine
CID 59046113
2-methyl-5-methylidene-N-propylheptan-1-amine
CID 66038086

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine?
The IUPAC name of 7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine (CID 130193618) is 7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine.
What is the SMILES notation for 7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine?
The canonical SMILES for 7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine is C=C(CC(C)C)NCCCCCC(=C)C(C)C.
What is the InChIKey of 7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine?
The InChIKey is KALJCQVPVQGBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-13(2)12-16(6)17-11-9-7-8-10-15(5)14(3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine?
7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-methylidene-N-(4-methylpent-1-en-2-yl)octan-1-amine is sourced from PubChem (CID 130193618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).