dicyclohexylmethanamine

C13H25N — CID 10774245

IUPACdicyclohexylmethanamine
SMILESNC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10,14H2
InChIKeyQVQGTNFYPJQJNM-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.47
Rot. Bonds2

About dicyclohexylmethanamine

dicyclohexylmethanamine (PubChem CID 10774245) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is dicyclohexylmethanamine.

Molecular Properties

Compound Namedicyclohexylmethanamine
PubChem CID10774245
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Namedicyclohexylmethanamine
SMILESNC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10,14H2
InChIKeyQVQGTNFYPJQJNM-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dicyclohexylmethanamine?
The IUPAC name of dicyclohexylmethanamine (CID 10774245) is dicyclohexylmethanamine.
What is the SMILES notation for dicyclohexylmethanamine?
The canonical SMILES for dicyclohexylmethanamine is NC(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexylmethanamine?
The InChIKey is QVQGTNFYPJQJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10,14H2.
What are the key properties of dicyclohexylmethanamine?
dicyclohexylmethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylmethanamine is sourced from PubChem (CID 10774245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).