N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine

C15H26N4 — CID 13325763

IUPACN-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine
SMILESc1ncn(CN(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C15H26N4/c1-3-7-14(8-4-1)19(13-18-12-16-11-17-18)15-9-5-2-6-10-15/h11-12,14-15H,1-10,13H2
InChIKeySJCPHAKVLPPPNX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.20
Rot. Bonds4

About N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine

N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine (PubChem CID 13325763) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine
PubChem CID13325763
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine
SMILESc1ncn(CN(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C15H26N4/c1-3-7-14(8-4-1)19(13-18-12-16-11-17-18)15-9-5-2-6-10-15/h11-12,14-15H,1-10,13H2
InChIKeySJCPHAKVLPPPNX-UHFFFAOYSA-N
XLogP3.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine?
The IUPAC name of N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine (CID 13325763) is N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine is c1ncn(CN(C2CCCCC2)C2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine?
The InChIKey is SJCPHAKVLPPPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-7-14(8-4-1)19(13-18-12-16-11-17-18)15-9-5-2-6-10-15/h11-12,14-15H,1-10,13H2.
What are the key properties of N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine?
N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine has a molecular weight of 262.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine is sourced from PubChem (CID 13325763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).