2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol

C15H27N3O — CID 79855610

IUPAC2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCc1cc(CC2(CN)CCCC(C)(C)C2O)n(C)n1
InChIInChI=1S/C15H27N3O/c1-11-8-12(18(4)17-11)9-15(10-16)7-5-6-14(2,3)13(15)19/h8,13,19H,5-7,9-10,16H2,1-4H3
InChIKeyHLOMMBAYZBVPQB-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.79
Rot. Bonds3

About 2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol

2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol (PubChem CID 79855610) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
PubChem CID79855610
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCc1cc(CC2(CN)CCCC(C)(C)C2O)n(C)n1
InChIInChI=1S/C15H27N3O/c1-11-8-12(18(4)17-11)9-15(10-16)7-5-6-14(2,3)13(15)19/h8,13,19H,5-7,9-10,16H2,1-4H3
InChIKeyHLOMMBAYZBVPQB-UHFFFAOYSA-N
XLogP1.79
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol (CID 79855610) is 2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol is Cc1cc(CC2(CN)CCCC(C)(C)C2O)n(C)n1.
What is the InChIKey of 2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
The InChIKey is HLOMMBAYZBVPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11-8-12(18(4)17-11)9-15(10-16)7-5-6-14(2,3)13(15)19/h8,13,19H,5-7,9-10,16H2,1-4H3.
What are the key properties of 2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79855610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).