2,3-dimethylcyclohept-3-en-1-amine

C9H17N — CID 146285592

IUPAC2,3-dimethylcyclohept-3-en-1-amine
SMILESCC1=CCCCC(N)C1C
InChIInChI=1S/C9H17N/c1-7-5-3-4-6-9(10)8(7)2/h5,8-9H,3-4,6,10H2,1-2H3
InChIKeyIGARABANQSVXLO-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds

About 2,3-dimethylcyclohept-3-en-1-amine

2,3-dimethylcyclohept-3-en-1-amine (PubChem CID 146285592) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,3-dimethylcyclohept-3-en-1-amine.

Molecular Properties

Compound Name2,3-dimethylcyclohept-3-en-1-amine
PubChem CID146285592
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,3-dimethylcyclohept-3-en-1-amine
SMILESCC1=CCCCC(N)C1C
InChIInChI=1S/C9H17N/c1-7-5-3-4-6-9(10)8(7)2/h5,8-9H,3-4,6,10H2,1-2H3
InChIKeyIGARABANQSVXLO-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
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

1,6,7-trimethylcycloheptene
CID 91039124
1,7-dimethylcycloheptene
CID 13493194
2-methylcyclohex-2-ene-1-carbaldehyde
CID 15178761
(1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene
CID 178125074
2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
CID 118643101
6-(2-chloroethynyl)-1-methylcyclohexene
CID 21482545
1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone
CID 130029480
ethyl 2-methylcyclohex-2-ene-1-carboxylate
CID 10397194
(6R)-7,8-dimethylbicyclo[4.2.0]oct-1-ene
CID 163443235
6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene
CID 163470973
ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate
CID 10726121
1-chloro-6-methylcyclohexene
CID 565192

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylcyclohept-3-en-1-amine?
The IUPAC name of 2,3-dimethylcyclohept-3-en-1-amine (CID 146285592) is 2,3-dimethylcyclohept-3-en-1-amine.
What is the SMILES notation for 2,3-dimethylcyclohept-3-en-1-amine?
The canonical SMILES for 2,3-dimethylcyclohept-3-en-1-amine is CC1=CCCCC(N)C1C.
What is the InChIKey of 2,3-dimethylcyclohept-3-en-1-amine?
The InChIKey is IGARABANQSVXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-5-3-4-6-9(10)8(7)2/h5,8-9H,3-4,6,10H2,1-2H3.
What are the key properties of 2,3-dimethylcyclohept-3-en-1-amine?
2,3-dimethylcyclohept-3-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcyclohept-3-en-1-amine is sourced from PubChem (CID 146285592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).