1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine

C16H25N — CID 80693058

IUPAC1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCc1cc(C)cc(CC2(N)CCC(C)(C)C2)c1
InChIInChI=1S/C16H25N/c1-12-7-13(2)9-14(8-12)10-16(17)6-5-15(3,4)11-16/h7-9H,5-6,10-11,17H2,1-4H3
InChIKeyLSCPIYIHXUHUSA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.75
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine

1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80693058) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80693058
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCc1cc(C)cc(CC2(N)CCC(C)(C)C2)c1
InChIInChI=1S/C16H25N/c1-12-7-13(2)9-14(8-12)10-16(17)6-5-15(3,4)11-16/h7-9H,5-6,10-11,17H2,1-4H3
InChIKeyLSCPIYIHXUHUSA-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 80693058) is 1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine is Cc1cc(C)cc(CC2(N)CCC(C)(C)C2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is LSCPIYIHXUHUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-7-13(2)9-14(8-12)10-16(17)6-5-15(3,4)11-16/h7-9H,5-6,10-11,17H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80693058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).