2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol

C14H26N4O — CID 79855077

IUPAC2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCCn1ncnc1CC1(CN)CCCC(C)(C)C1O
InChIInChI=1S/C14H26N4O/c1-4-18-11(16-10-17-18)8-14(9-15)7-5-6-13(2,3)12(14)19/h10,12,19H,4-9,15H2,1-3H3
InChIKeyGAXNIKHBLBIKME-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.36
Rot. Bonds4

About 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol

2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol (PubChem CID 79855077) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
PubChem CID79855077
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCCn1ncnc1CC1(CN)CCCC(C)(C)C1O
InChIInChI=1S/C14H26N4O/c1-4-18-11(16-10-17-18)8-14(9-15)7-5-6-13(2,3)12(14)19/h10,12,19H,4-9,15H2,1-3H3
InChIKeyGAXNIKHBLBIKME-UHFFFAOYSA-N
XLogP1.36
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol (CID 79855077) is 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol is CCn1ncnc1CC1(CN)CCCC(C)(C)C1O.
What is the InChIKey of 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
The InChIKey is GAXNIKHBLBIKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-18-11(16-10-17-18)8-14(9-15)7-5-6-13(2,3)12(14)19/h10,12,19H,4-9,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol has a molecular weight of 266.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79855077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).