4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine

C13H25N5 — CID 79116068

IUPAC4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCCN(Cc1ncnn1CC)C1CCC(N)CC1
InChIInChI=1S/C13H25N5/c1-3-17(12-7-5-11(14)6-8-12)9-13-15-10-16-18(13)4-2/h10-12H,3-9,14H2,1-2H3
InChIKeyOFAMZGICBWLHOH-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.39
Rot. Bonds5

About 4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 79116068) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
PubChem CID79116068
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCCN(Cc1ncnn1CC)C1CCC(N)CC1
InChIInChI=1S/C13H25N5/c1-3-17(12-7-5-11(14)6-8-12)9-13-15-10-16-18(13)4-2/h10-12H,3-9,14H2,1-2H3
InChIKeyOFAMZGICBWLHOH-UHFFFAOYSA-N
XLogP1.39
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 102875127
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 77093844
(4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 99933859
4-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79113863
N-(2-bromoethyl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 80668920
4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79120933
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine
CID 83262408
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclobutan-1-amine
CID 112564080
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclopentan-1-amine
CID 112565739
4-N-[(2-chloro-4-pyridinyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115783
4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine
CID 79115486

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine (CID 79116068) is 4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine is CCN(Cc1ncnn1CC)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is OFAMZGICBWLHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-17(12-7-5-11(14)6-8-12)9-13-15-10-16-18(13)4-2/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79116068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).