2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine

C16H25N — CID 79857477

IUPAC2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine
SMILESCCCc1ccc(C2(N)CCCC2(C)C)cc1
InChIInChI=1S/C16H25N/c1-4-6-13-7-9-14(10-8-13)16(17)12-5-11-15(16,2)3/h7-10H,4-6,11-12,17H2,1-3H3
InChIKeyCKNIRVMBXPVVQX-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.00
Rot. Bonds3

About 2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine

2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine (PubChem CID 79857477) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine
PubChem CID79857477
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine
SMILESCCCc1ccc(C2(N)CCCC2(C)C)cc1
InChIInChI=1S/C16H25N/c1-4-6-13-7-9-14(10-8-13)16(17)12-5-11-15(16,2)3/h7-10H,4-6,11-12,17H2,1-3H3
InChIKeyCKNIRVMBXPVVQX-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine (CID 79857477) is 2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine is CCCc1ccc(C2(N)CCCC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine?
The InChIKey is CKNIRVMBXPVVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-6-13-7-9-14(10-8-13)16(17)12-5-11-15(16,2)3/h7-10H,4-6,11-12,17H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine?
2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 79857477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).