1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol

C15H29NO3 — CID 54937626

IUPAC1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol
SMILESCC1CCCCC1OCC(O)CNC1CCOCC1
InChIInChI=1S/C15H29NO3/c1-12-4-2-3-5-15(12)19-11-14(17)10-16-13-6-8-18-9-7-13/h12-17H,2-11H2,1H3
InChIKeyJGRSNGIUZNNCLU-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.71
Rot. Bonds6

About 1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol

1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol (PubChem CID 54937626) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol
PubChem CID54937626
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol
SMILESCC1CCCCC1OCC(O)CNC1CCOCC1
InChIInChI=1S/C15H29NO3/c1-12-4-2-3-5-15(12)19-11-14(17)10-16-13-6-8-18-9-7-13/h12-17H,2-11H2,1H3
InChIKeyJGRSNGIUZNNCLU-UHFFFAOYSA-N
XLogP1.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-Propanol, 1-[(1-methylethyl)amino]-3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-
CID 209611
1,4-Dioxaspiro(5.5)undecane-3-methanamine, 5-methyl-N-(1-methylethyl)-, hydrochloride
CID 13370194
N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine
CID 13370193
1-(2-Methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 55173979
1-(2-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632467
1-(2-Ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632510
1-(2-Methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729530
1-(2-Ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226622
3-[[3-(2-Ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-1,1,1-trifluoropropan-2-ol
CID 105645012
1,1,1-Trifluoro-3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105645013
3-[[3-(2-Ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-1,1-difluoropropan-2-ol
CID 105645710
1,1-Difluoro-3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105645712

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol (CID 54937626) is 1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol is CC1CCCCC1OCC(O)CNC1CCOCC1.
What is the InChIKey of 1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol?
The InChIKey is JGRSNGIUZNNCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12-4-2-3-5-15(12)19-11-14(17)10-16-13-6-8-18-9-7-13/h12-17H,2-11H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol?
1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)oxy-3-(oxan-4-ylamino)propan-2-ol is sourced from PubChem (CID 54937626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).