N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine

C16H25N — CID 61381552

IUPACN-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
SMILESCNC1CCCC1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H25N/c1-12(2)14-9-7-13(8-10-14)11-15-5-4-6-16(15)17-3/h7-10,12,15-17H,4-6,11H2,1-3H3
InChIKeySZVVUMNVMVUSIK-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.74
Rot. Bonds4

About N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine

N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine (PubChem CID 61381552) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
PubChem CID61381552
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
SMILESCNC1CCCC1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H25N/c1-12(2)14-9-7-13(8-10-14)11-15-5-4-6-16(15)17-3/h7-10,12,15-17H,4-6,11H2,1-3H3
InChIKeySZVVUMNVMVUSIK-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine (CID 61381552) is N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine is CNC1CCCC1Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is SZVVUMNVMVUSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)14-9-7-13(8-10-14)11-15-5-4-6-16(15)17-3/h7-10,12,15-17H,4-6,11H2,1-3H3.
What are the key properties of N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 61381552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).