[2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol

C15H29NO2 — CID 103930700

IUPAC[2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol
SMILESCC(C)C1CC(NC2CCCCC2CO)CCO1
InChIInChI=1S/C15H29NO2/c1-11(2)15-9-13(7-8-18-15)16-14-6-4-3-5-12(14)10-17/h11-17H,3-10H2,1-2H3
InChIKeyCALMMYOIHPECKC-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.33
Rot. Bonds4

About [2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol

[2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol (PubChem CID 103930700) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol
PubChem CID103930700
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol
SMILESCC(C)C1CC(NC2CCCCC2CO)CCO1
InChIInChI=1S/C15H29NO2/c1-11(2)15-9-13(7-8-18-15)16-14-6-4-3-5-12(14)10-17/h11-17H,3-10H2,1-2H3
InChIKeyCALMMYOIHPECKC-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol 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-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol (CID 103930700) is [2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol is CC(C)C1CC(NC2CCCCC2CO)CCO1.
What is the InChIKey of [2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol?
The InChIKey is CALMMYOIHPECKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(2)15-9-13(7-8-18-15)16-14-6-4-3-5-12(14)10-17/h11-17H,3-10H2,1-2H3.
What are the key properties of [2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol?
[2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol has a molecular weight of 255.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 103930700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).