N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine

C14H24N4 — CID 170216225

IUPACN-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine
SMILESc1nncn1C1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C14H24N4/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)18-10-15-16-11-18/h10-14,17H,1-9H2
InChIKeyNSSNBRYJMKWDGJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.68
Rot. Bonds3

About N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine

N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine (PubChem CID 170216225) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine
PubChem CID170216225
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine
SMILESc1nncn1C1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C14H24N4/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)18-10-15-16-11-18/h10-14,17H,1-9H2
InChIKeyNSSNBRYJMKWDGJ-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4H-1,2,4-Triazol-4-yl)piperidine
CID 45088326
N-cyclohexyl-N-(1,2,4-triazol-1-ylmethyl)cyclohexanamine
CID 13325763
4-(1,2,4-Triazol-4-yl)piperidin-1-ium
CID 51898081
2-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine
CID 58883308
1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine
CID 58883347
4-(1,2,4-Triazol-4-yl)cyclohexan-1-amine
CID 62587358
(1S,4S)-4-(1H-1,2,4-Triazol-1-yl)cyclohexanamine
CID 62808160
3-(4H-1,2,4-triazol-4-yl)piperidine
CID 63318957
1-(1,2,4-Triazol-4-yl)cyclohexan-1-amine
CID 66895615
cis-(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine
CID 67491322
cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine
CID 67491434
3-(1,2,4-Triazol-4-yl)cyclohexan-1-amine
CID 67491435

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The IUPAC name of N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine (CID 170216225) is N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine is c1nncn1C1CCC(NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The InChIKey is NSSNBRYJMKWDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)18-10-15-16-11-18/h10-14,17H,1-9H2.
What are the key properties of N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1,2,4-triazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 170216225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).