2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine

C16H25N — CID 153338487

IUPAC2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine
SMILESCC1C=CC=CC(C2CCC(CCN)CC2)=C1
InChIInChI=1S/C16H25N/c1-13-4-2-3-5-16(12-13)15-8-6-14(7-9-15)10-11-17/h2-5,12-15H,6-11,17H2,1H3
InChIKeyAUMFQABHQFOCBF-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.83
Rot. Bonds3

About 2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine

2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine (PubChem CID 153338487) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine
PubChem CID153338487
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine
SMILESCC1C=CC=CC(C2CCC(CCN)CC2)=C1
InChIInChI=1S/C16H25N/c1-13-4-2-3-5-16(12-13)15-8-6-14(7-9-15)10-11-17/h2-5,12-15H,6-11,17H2,1H3
InChIKeyAUMFQABHQFOCBF-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropylethanamine;sulfuric acid
CID 160536384
2-[3-(2-methylphenyl)cyclopentyl]ethanamine
CID 82282651
2-[3-(4-methylphenyl)cyclopentyl]ethanamine
CID 82282657
2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene
CID 139627561
1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol
CID 163989914
6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 142209321
2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine
CID 84772014
2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene
CID 123385181
2-[1-(2,3-dimethylcyclohexyl)piperidin-4-yl]ethanamine
CID 64755587
ethyl 2,2-difluoro-2-(3-methylcyclohepta-1,4,6-trien-1-yl)acetate
CID 143545774
5-hexyl-2-(4-octylcyclohexyl)cyclohexa-1,3-diene
CID 139627527
2-(1-methylidenethian-4-yl)ethanamine
CID 144897910

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine?
The IUPAC name of 2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine (CID 153338487) is 2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine?
The canonical SMILES for 2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine is CC1C=CC=CC(C2CCC(CCN)CC2)=C1.
What is the InChIKey of 2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine?
The InChIKey is AUMFQABHQFOCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-4-2-3-5-16(12-13)15-8-6-14(7-9-15)10-11-17/h2-5,12-15H,6-11,17H2,1H3.
What are the key properties of 2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine?
2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine is sourced from PubChem (CID 153338487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).