tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate

C16H32N2O3 — CID 165491681

IUPACtert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate
SMILESCCCCN(C)C1CC(O)CCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-6-7-10-18(5)14-11-12(19)8-9-13(14)17-15(20)21-16(2,3)4/h12-14,19H,6-11H2,1-5H3,(H,17,20)
InChIKeyJSUJRXXLCKDPHN-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.53
Rot. Bonds5

About tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate

tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate (PubChem CID 165491681) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate
PubChem CID165491681
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate
SMILESCCCCN(C)C1CC(O)CCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-6-7-10-18(5)14-11-12(19)8-9-13(14)17-15(20)21-16(2,3)4/h12-14,19H,6-11H2,1-5H3,(H,17,20)
InChIKeyJSUJRXXLCKDPHN-UHFFFAOYSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]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-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate
CID 165497934
tert-butyl-[(1R,2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamic acid
CID 67056480
tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate
CID 165498413
tert-butyl N-[2-[cyclopropyl(2-methylpropyl)amino]-4-hydroxycyclohexyl]carbamate
CID 165491693
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
tert-butyl N-[(2S)-2-(dimethylamino)cyclopentyl]carbamate
CID 143692343
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate
CID 165498547
tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate
CID 151269227
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate (CID 165491681) is tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate is CCCCN(C)C1CC(O)CCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate?
The InChIKey is JSUJRXXLCKDPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-6-7-10-18(5)14-11-12(19)8-9-13(14)17-15(20)21-16(2,3)4/h12-14,19H,6-11H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate?
tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 165491681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).