N-(2,4,6-trimethylphenyl)cycloheptanamine

C16H25N — CID 63448201

IUPACN-(2,4,6-trimethylphenyl)cycloheptanamine
SMILESCc1cc(C)c(NC2CCCCCC2)c(C)c1
InChIInChI=1S/C16H25N/c1-12-10-13(2)16(14(3)11-12)17-15-8-6-4-5-7-9-15/h10-11,15,17H,4-9H2,1-3H3
InChIKeyZJFLLTWGFKNLJM-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.75
Rot. Bonds2

About N-(2,4,6-trimethylphenyl)cycloheptanamine

N-(2,4,6-trimethylphenyl)cycloheptanamine (PubChem CID 63448201) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(2,4,6-trimethylphenyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2,4,6-trimethylphenyl)cycloheptanamine
PubChem CID63448201
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(2,4,6-trimethylphenyl)cycloheptanamine
SMILESCc1cc(C)c(NC2CCCCCC2)c(C)c1
InChIInChI=1S/C16H25N/c1-12-10-13(2)16(14(3)11-12)17-15-8-6-4-5-7-9-15/h10-11,15,17H,4-9H2,1-3H3
InChIKeyZJFLLTWGFKNLJM-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-N-(2,4,6-trimethylphenyl)piperidin-4-amine
CID 54861532
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine
CID 91671726
4-(2,4,6-trimethylanilino)piperidine-1-carboxylate
CID 23109910
N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline
CID 54861611
3-N-cyclooctyl-5-methylbenzene-1,3-diamine
CID 112646949
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol
CID 143208834
N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline
CID 142357623
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile
CID 54894375
3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine
CID 82933121
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethylphenyl)cycloheptanamine?
The IUPAC name of N-(2,4,6-trimethylphenyl)cycloheptanamine (CID 63448201) is N-(2,4,6-trimethylphenyl)cycloheptanamine.
What is the SMILES notation for N-(2,4,6-trimethylphenyl)cycloheptanamine?
The canonical SMILES for N-(2,4,6-trimethylphenyl)cycloheptanamine is Cc1cc(C)c(NC2CCCCCC2)c(C)c1.
What is the InChIKey of N-(2,4,6-trimethylphenyl)cycloheptanamine?
The InChIKey is ZJFLLTWGFKNLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-10-13(2)16(14(3)11-12)17-15-8-6-4-5-7-9-15/h10-11,15,17H,4-9H2,1-3H3.
What are the key properties of N-(2,4,6-trimethylphenyl)cycloheptanamine?
N-(2,4,6-trimethylphenyl)cycloheptanamine has a molecular weight of 231.38 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylphenyl)cycloheptanamine is sourced from PubChem (CID 63448201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).