[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine

C14H26N4 — CID 81012067

IUPAC[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCCn1ncnc1CC1CC(C)(C)CCC1CN
InChIInChI=1S/C14H26N4/c1-4-18-13(16-10-17-18)7-12-8-14(2,3)6-5-11(12)9-15/h10-12H,4-9,15H2,1-3H3
InChIKeyOUIRVPQBAVEMTR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.24
Rot. Bonds4

About [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine

[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine (PubChem CID 81012067) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine
PubChem CID81012067
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCCn1ncnc1CC1CC(C)(C)CCC1CN
InChIInChI=1S/C14H26N4/c1-4-18-13(16-10-17-18)7-12-8-14(2,3)6-5-11(12)9-15/h10-12H,4-9,15H2,1-3H3
InChIKeyOUIRVPQBAVEMTR-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine (CID 81012067) is [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine is CCn1ncnc1CC1CC(C)(C)CCC1CN.
What is the InChIKey of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is OUIRVPQBAVEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-18-13(16-10-17-18)7-12-8-14(2,3)6-5-11(12)9-15/h10-12H,4-9,15H2,1-3H3.
What are the key properties of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine?
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 81012067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).