N,6-dimethylhept-5-en-2-amine

C9H19N — CID 22297

💊View drug profile → isometheptene
IUPACN,6-dimethylhept-5-en-2-amine
SMILESCNC(C)CCC=C(C)C
InChIInChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3
InChIKeyXVQUOJBERHHONY-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds4

About N,6-dimethylhept-5-en-2-amine

N,6-dimethylhept-5-en-2-amine (PubChem CID 22297) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,6-dimethylhept-5-en-2-amine.

Molecular Properties

Compound NameN,6-dimethylhept-5-en-2-amine
PubChem CID22297
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,6-dimethylhept-5-en-2-amine
SMILESCNC(C)CCC=C(C)C
InChIInChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3
InChIKeyXVQUOJBERHHONY-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isometheptene Hydrochloride
CID 22549
Dexisometheptene
CID 24871315
6-Methylhept-5-en-2-amine, (+-)-
CID 31179
(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
N-Methylfarnesylamine
CID 6433497
Cyclopropanamine, N-(4,8,13,17,21-pentamethyl-4,8,12,16,20-docosapentaenyl)-, (all-E)-
CID 6505320
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropanamine
CID 141815373
Isometheptene-mucate
CID 6604597
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850

Frequently Asked Questions

What is the IUPAC name of N,6-dimethylhept-5-en-2-amine?
The IUPAC name of N,6-dimethylhept-5-en-2-amine (CID 22297) is N,6-dimethylhept-5-en-2-amine.
What is the SMILES notation for N,6-dimethylhept-5-en-2-amine?
The canonical SMILES for N,6-dimethylhept-5-en-2-amine is CNC(C)CCC=C(C)C.
What is the InChIKey of N,6-dimethylhept-5-en-2-amine?
The InChIKey is XVQUOJBERHHONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3.
What are the key properties of N,6-dimethylhept-5-en-2-amine?
N,6-dimethylhept-5-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethylhept-5-en-2-amine is sourced from PubChem (CID 22297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).