4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine

C14H26N4 — CID 55107399

IUPAC4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nncn2CC(C)C)CC1
InChIInChI=1S/C14H26N4/c1-4-12-5-7-14(15,8-6-12)13-17-16-10-18(13)9-11(2)3/h10-12H,4-9,15H2,1-3H3
InChIKeyMMHZDKRSFLFAQQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds4

About 4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine

4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine (PubChem CID 55107399) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
PubChem CID55107399
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nncn2CC(C)C)CC1
InChIInChI=1S/C14H26N4/c1-4-12-5-7-14(15,8-6-12)13-17-16-10-18(13)9-11(2)3/h10-12H,4-9,15H2,1-3H3
InChIKeyMMHZDKRSFLFAQQ-UHFFFAOYSA-N
XLogP2.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine (CID 55107399) is 4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine is CCC1CCC(N)(c2nncn2CC(C)C)CC1.
What is the InChIKey of 4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The InChIKey is MMHZDKRSFLFAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-12-5-7-14(15,8-6-12)13-17-16-10-18(13)9-11(2)3/h10-12H,4-9,15H2,1-3H3.
What are the key properties of 4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 55107399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).