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

C9H19N — CID 123172071

IUPACN,5-dimethylhept-5-en-2-amine
SMILESCC=C(C)CCC(C)NC
InChIInChI=1S/C9H19N/c1-5-8(2)6-7-9(3)10-4/h5,9-10H,6-7H2,1-4H3
InChIKeyBOJIPJDQZVDNGS-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds4

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

N,5-dimethylhept-5-en-2-amine (PubChem CID 123172071) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,5-dimethylhept-5-en-2-amine.

Molecular Properties

Compound NameN,5-dimethylhept-5-en-2-amine
PubChem CID123172071
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,5-dimethylhept-5-en-2-amine
SMILESCC=C(C)CCC(C)NC
InChIInChI=1S/C9H19N/c1-5-8(2)6-7-9(3)10-4/h5,9-10H,6-7H2,1-4H3
InChIKeyBOJIPJDQZVDNGS-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
CID 22297
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
Cyclopropanamine, N-(4,8,13,17,21-pentamethyl-4,8,12,16,20-docosapentaenyl)-, (all-E)-
CID 6505320
N-(2-cyclopentylideneethyl)cyclohexanamine
CID 23646101
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
N-(2-cyclohexylideneethyl)cyclohexanamine
CID 23646103
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

Frequently Asked Questions

What is the IUPAC name of N,5-dimethylhept-5-en-2-amine?
The IUPAC name of N,5-dimethylhept-5-en-2-amine (CID 123172071) is N,5-dimethylhept-5-en-2-amine.
What is the SMILES notation for N,5-dimethylhept-5-en-2-amine?
The canonical SMILES for N,5-dimethylhept-5-en-2-amine is CC=C(C)CCC(C)NC.
What is the InChIKey of N,5-dimethylhept-5-en-2-amine?
The InChIKey is BOJIPJDQZVDNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-8(2)6-7-9(3)10-4/h5,9-10H,6-7H2,1-4H3.
What are the key properties of N,5-dimethylhept-5-en-2-amine?
N,5-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,5-dimethylhept-5-en-2-amine is sourced from PubChem (CID 123172071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).