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

C16H25N — CID 64513860

IUPAC3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cc(C)c(CC2(N)CCC(C)C2)c(C)c1
InChIInChI=1S/C16H25N/c1-11-5-6-16(17,9-11)10-15-13(3)7-12(2)8-14(15)4/h7-8,11H,5-6,9-10,17H2,1-4H3
InChIKeyLPLIEHXFAYVIFX-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.67
Rot. Bonds2

About 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine

3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (PubChem CID 64513860) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
PubChem CID64513860
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cc(C)c(CC2(N)CCC(C)C2)c(C)c1
InChIInChI=1S/C16H25N/c1-11-5-6-16(17,9-11)10-15-13(3)7-12(2)8-14(15)4/h7-8,11H,5-6,9-10,17H2,1-4H3
InChIKeyLPLIEHXFAYVIFX-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (CID 64513860) is 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is Cc1cc(C)c(CC2(N)CCC(C)C2)c(C)c1.
What is the InChIKey of 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is LPLIEHXFAYVIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-5-6-16(17,9-11)10-15-13(3)7-12(2)8-14(15)4/h7-8,11H,5-6,9-10,17H2,1-4H3.
What are the key properties of 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64513860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).