N-benzyl-2,2,3-trimethylcyclopentan-1-amine

C15H23N — CID 123953316

IUPACN-benzyl-2,2,3-trimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccccc2)C1(C)C
InChIInChI=1S/C15H23N/c1-12-9-10-14(15(12,2)3)16-11-13-7-5-4-6-8-13/h4-8,12,14,16H,9-11H2,1-3H3
InChIKeyNWUWLECSPDSBPH-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.60
Rot. Bonds3

About N-benzyl-2,2,3-trimethylcyclopentan-1-amine

N-benzyl-2,2,3-trimethylcyclopentan-1-amine (PubChem CID 123953316) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-benzyl-2,2,3-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-benzyl-2,2,3-trimethylcyclopentan-1-amine
PubChem CID123953316
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-benzyl-2,2,3-trimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccccc2)C1(C)C
InChIInChI=1S/C15H23N/c1-12-9-10-14(15(12,2)3)16-11-13-7-5-4-6-8-13/h4-8,12,14,16H,9-11H2,1-3H3
InChIKeyNWUWLECSPDSBPH-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,3-trimethylcyclopentan-1-amine?
The IUPAC name of N-benzyl-2,2,3-trimethylcyclopentan-1-amine (CID 123953316) is N-benzyl-2,2,3-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-benzyl-2,2,3-trimethylcyclopentan-1-amine?
The canonical SMILES for N-benzyl-2,2,3-trimethylcyclopentan-1-amine is CC1CCC(NCc2ccccc2)C1(C)C.
What is the InChIKey of N-benzyl-2,2,3-trimethylcyclopentan-1-amine?
The InChIKey is NWUWLECSPDSBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-9-10-14(15(12,2)3)16-11-13-7-5-4-6-8-13/h4-8,12,14,16H,9-11H2,1-3H3.
What are the key properties of N-benzyl-2,2,3-trimethylcyclopentan-1-amine?
N-benzyl-2,2,3-trimethylcyclopentan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,3-trimethylcyclopentan-1-amine is sourced from PubChem (CID 123953316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).