cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol

C14H25N3O — CID 74245680

IUPACcis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol
SMILESCC(C)n1cncc1CN(C)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H25N3O/c1-11(2)17-10-15-8-12(17)9-16(3)13-6-4-5-7-14(13)18/h8,10-11,13-14,18H,4-7,9H2,1-3H3/t13-,14+/m1/s1
InChIKeyLPQGBAMCQOLEME-KGLIPLIRSA-N
MW251.37 g/mol
LogP2.20
Rot. Bonds4

About cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol

cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 74245680) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol
PubChem CID74245680
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Namecis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol
SMILESCC(C)n1cncc1CN(C)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H25N3O/c1-11(2)17-10-15-8-12(17)9-16(3)13-6-4-5-7-14(13)18/h8,10-11,13-14,18H,4-7,9H2,1-3H3/t13-,14+/m1/s1
InChIKeyLPQGBAMCQOLEME-KGLIPLIRSA-N
XLogP2.20
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-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 cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol (CID 74245680) is cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol is CC(C)n1cncc1CN(C)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is LPQGBAMCQOLEME-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)17-10-15-8-12(17)9-16(3)13-6-4-5-7-14(13)18/h8,10-11,13-14,18H,4-7,9H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol?
cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 74245680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).