N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine

C16H25N — CID 114544212

IUPACN-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCc1ccc(C)c(CNC2CCC(C)(C)C2)c1
InChIInChI=1S/C16H25N/c1-12-5-6-13(2)14(9-12)11-17-15-7-8-16(3,4)10-15/h5-6,9,15,17H,7-8,10-11H2,1-4H3
InChIKeyUXQUNVKKEPGEEL-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.97
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine

N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 114544212) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID114544212
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCc1ccc(C)c(CNC2CCC(C)(C)C2)c1
InChIInChI=1S/C16H25N/c1-12-5-6-13(2)14(9-12)11-17-15-7-8-16(3,4)10-15/h5-6,9,15,17H,7-8,10-11H2,1-4H3
InChIKeyUXQUNVKKEPGEEL-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 114544213
N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 106862708
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544151
N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671674
3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
N-[(2,5-dimethylphenyl)methyl]thiolan-3-amine
CID 103701631
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline
CID 114543498
4-bromo-2-[[(3,3-dimethylcyclopentyl)amino]methyl]phenol
CID 113345596
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 114544940
2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline
CID 107630695
N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 54971762

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 114544212) is N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine is Cc1ccc(C)c(CNC2CCC(C)(C)C2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is UXQUNVKKEPGEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-5-6-13(2)14(9-12)11-17-15-7-8-16(3,4)10-15/h5-6,9,15,17H,7-8,10-11H2,1-4H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114544212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).