tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate

C14H27NO3 — CID 99988243

IUPACtert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CCCO)CCCCC1
InChIInChI=1S/C14H27NO3/c1-13(2,3)18-12(17)15-14(10-7-11-16)8-5-4-6-9-14/h16H,4-11H2,1-3H3,(H,15,17)
InChIKeyOXFBWKNSZPAXSL-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate

tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate (PubChem CID 99988243) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
PubChem CID99988243
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CCCO)CCCCC1
InChIInChI=1S/C14H27NO3/c1-13(2,3)18-12(17)15-14(10-7-11-16)8-5-4-6-9-14/h16H,4-11H2,1-3H3,(H,15,17)
InChIKeyOXFBWKNSZPAXSL-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate 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

tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
tert-butyl N-[1-(5-oxoheptyl)cyclohexyl]carbamate
CID 174894028
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
CID 115071728
tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
CID 115071660
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
CID 146204300
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
CID 139520312
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate (CID 99988243) is tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1(CCCO)CCCCC1.
What is the InChIKey of tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate?
The InChIKey is OXFBWKNSZPAXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,3)18-12(17)15-14(10-7-11-16)8-5-4-6-9-14/h16H,4-11H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate?
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate has a molecular weight of 257.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate is sourced from PubChem (CID 99988243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).