cycloheptyl-(2,4,6-trimethylphenyl)methanamine

C17H27N — CID 63522004

IUPACcycloheptyl-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCCCCC2)c(C)c1
InChIInChI=1S/C17H27N/c1-12-10-13(2)16(14(3)11-12)17(18)15-8-6-4-5-7-9-15/h10-11,15,17H,4-9,18H2,1-3H3
InChIKeyGPDYVACVXYMROK-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.58
Rot. Bonds2

About cycloheptyl-(2,4,6-trimethylphenyl)methanamine

cycloheptyl-(2,4,6-trimethylphenyl)methanamine (PubChem CID 63522004) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is cycloheptyl-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Namecycloheptyl-(2,4,6-trimethylphenyl)methanamine
PubChem CID63522004
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Namecycloheptyl-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCCCCC2)c(C)c1
InChIInChI=1S/C17H27N/c1-12-10-13(2)16(14(3)11-12)17(18)15-8-6-4-5-7-9-15/h10-11,15,17H,4-9,18H2,1-3H3
InChIKeyGPDYVACVXYMROK-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680816
4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride
CID 171198721
4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937242
(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride
CID 171248247
cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 82493927
(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 63522356
cyclopentyl-(2,3,5,6-tetramethylphenyl)methanamine
CID 43110265
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol
CID 171268340
2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
CID 130674108
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of cycloheptyl-(2,4,6-trimethylphenyl)methanamine (CID 63522004) is cycloheptyl-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for cycloheptyl-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for cycloheptyl-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2CCCCCC2)c(C)c1.
What is the InChIKey of cycloheptyl-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is GPDYVACVXYMROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-10-13(2)16(14(3)11-12)17(18)15-8-6-4-5-7-9-15/h10-11,15,17H,4-9,18H2,1-3H3.
What are the key properties of cycloheptyl-(2,4,6-trimethylphenyl)methanamine?
cycloheptyl-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 63522004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).