N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine

C14H23N5 — CID 91789239

IUPACN-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine
SMILESc1ncnc(NC2(CN3CCCC3)CCCCC2)n1
InChIInChI=1S/C14H23N5/c1-2-6-14(7-3-1,10-19-8-4-5-9-19)18-13-16-11-15-12-17-13/h11-12H,1-10H2,(H,15,16,17,18)
InChIKeyWMKGBYXVFUTTDW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.08
Rot. Bonds4

About N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine

N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine (PubChem CID 91789239) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine
PubChem CID91789239
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine
SMILESc1ncnc(NC2(CN3CCCC3)CCCCC2)n1
InChIInChI=1S/C14H23N5/c1-2-6-14(7-3-1,10-19-8-4-5-9-19)18-13-16-11-15-12-17-13/h11-12H,1-10H2,(H,15,16,17,18)
InChIKeyWMKGBYXVFUTTDW-UHFFFAOYSA-N
XLogP2.08
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine (CID 91789239) is N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine is c1ncnc(NC2(CN3CCCC3)CCCCC2)n1.
What is the InChIKey of N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine?
The InChIKey is WMKGBYXVFUTTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-6-14(7-3-1,10-19-8-4-5-9-19)18-13-16-11-15-12-17-13/h11-12H,1-10H2,(H,15,16,17,18).
What are the key properties of N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine?
N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 91789239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).