2-benzylcyclohexan-1-amine

C13H19N — CID 3018343

IUPAC2-benzylcyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccccc1
InChIInChI=1S/C13H19N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2
InChIKeyYOPIHDSNQOMRGC-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.75
Rot. Bonds2

About 2-benzylcyclohexan-1-amine

2-benzylcyclohexan-1-amine (PubChem CID 3018343) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-benzylcyclohexan-1-amine.

Molecular Properties

Compound Name2-benzylcyclohexan-1-amine
PubChem CID3018343
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-benzylcyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccccc1
InChIInChI=1S/C13H19N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2
InChIKeyYOPIHDSNQOMRGC-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzylcyclohexan-1-amine?
The IUPAC name of 2-benzylcyclohexan-1-amine (CID 3018343) is 2-benzylcyclohexan-1-amine.
What is the SMILES notation for 2-benzylcyclohexan-1-amine?
The canonical SMILES for 2-benzylcyclohexan-1-amine is NC1CCCCC1Cc1ccccc1.
What is the InChIKey of 2-benzylcyclohexan-1-amine?
The InChIKey is YOPIHDSNQOMRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2.
What are the key properties of 2-benzylcyclohexan-1-amine?
2-benzylcyclohexan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylcyclohexan-1-amine is sourced from PubChem (CID 3018343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).