1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine

C17H27N — CID 55185820

IUPAC1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
SMILESCc1cc(C)c(CC2(N)CCCCCC2)c(C)c1
InChIInChI=1S/C17H27N/c1-13-10-14(2)16(15(3)11-13)12-17(18)8-6-4-5-7-9-17/h10-11H,4-9,12,18H2,1-3H3
InChIKeyRYAYAIZVYWQYEE-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.21
Rot. Bonds2

About 1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine

1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine (PubChem CID 55185820) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
PubChem CID55185820
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
SMILESCc1cc(C)c(CC2(N)CCCCCC2)c(C)c1
InChIInChI=1S/C17H27N/c1-13-10-14(2)16(15(3)11-13)12-17(18)8-6-4-5-7-9-17/h10-11H,4-9,12,18H2,1-3H3
InChIKeyRYAYAIZVYWQYEE-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine (CID 55185820) is 1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine is Cc1cc(C)c(CC2(N)CCCCCC2)c(C)c1.
What is the InChIKey of 1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine?
The InChIKey is RYAYAIZVYWQYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-10-14(2)16(15(3)11-13)12-17(18)8-6-4-5-7-9-17/h10-11H,4-9,12,18H2,1-3H3.
What are the key properties of 1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine?
1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 55185820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).