1-(2,3-dimethylphenyl)oct-7-en-1-amine

C16H25N — CID 107011723

IUPAC1-(2,3-dimethylphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1cccc(C)c1C
InChIInChI=1S/C16H25N/c1-4-5-6-7-8-12-16(17)15-11-9-10-13(2)14(15)3/h4,9-11,16H,1,5-8,12,17H2,2-3H3
InChIKeyAFMQVDDRKDNSMF-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.44
Rot. Bonds7

About 1-(2,3-dimethylphenyl)oct-7-en-1-amine

1-(2,3-dimethylphenyl)oct-7-en-1-amine (PubChem CID 107011723) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)oct-7-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)oct-7-en-1-amine
PubChem CID107011723
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(2,3-dimethylphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1cccc(C)c1C
InChIInChI=1S/C16H25N/c1-4-5-6-7-8-12-16(17)15-11-9-10-13(2)14(15)3/h4,9-11,16H,1,5-8,12,17H2,2-3H3
InChIKeyAFMQVDDRKDNSMF-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.44
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

1-(2,3-dimethylphenyl)dodecan-1-amine;hydrate
CID 173447782
(1R)-1-(2,3-dimethylphenyl)hexan-1-amine
CID 171202560
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024239
1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine
CID 107008902
1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
CID 107012120
1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine
CID 107011543
1-(2,4-dibromophenyl)oct-7-en-1-amine
CID 107947175
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(2-iodo-3-methylphenyl)octan-1-amine
CID 114030076

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)oct-7-en-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)oct-7-en-1-amine (CID 107011723) is 1-(2,3-dimethylphenyl)oct-7-en-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)oct-7-en-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)oct-7-en-1-amine is C=CCCCCCC(N)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)oct-7-en-1-amine?
The InChIKey is AFMQVDDRKDNSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-5-6-7-8-12-16(17)15-11-9-10-13(2)14(15)3/h4,9-11,16H,1,5-8,12,17H2,2-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)oct-7-en-1-amine?
1-(2,3-dimethylphenyl)oct-7-en-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)oct-7-en-1-amine is sourced from PubChem (CID 107011723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).