tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate

C16H32N2O2 — CID 107255742

IUPACtert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
SMILESCC(C)CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-12(2)11-17-13-7-9-14(10-8-13)18(6)15(19)20-16(3,4)5/h12-14,17H,7-11H2,1-6H3
InChIKeyPCSZNXQOTLOWOV-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate

tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate (PubChem CID 107255742) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
PubChem CID107255742
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
SMILESCC(C)CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-12(2)11-17-13-7-9-14(10-8-13)18(6)15(19)20-16(3,4)5/h12-14,17H,7-11H2,1-6H3
InChIKeyPCSZNXQOTLOWOV-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-[4-(2-methylpropylamino)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-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate
CID 107255820
tert-butyl N-[4-[[2-(hydroxymethyl)-2-methylbutyl]amino]cyclohexyl]-N-methylcarbamate
CID 107255756
tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751
tert-butyl N-methyl-N-[4-[(3-methylcyclobutyl)amino]cyclohexyl]carbamate
CID 107255790
tert-butyl N-methyl-N-[2-methyl-3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699401
tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate
CID 107255892
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate
CID 107255728
tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255901
tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
CID 118422917
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate (CID 107255742) is tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate is CC(C)CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate?
The InChIKey is PCSZNXQOTLOWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)11-17-13-7-9-14(10-8-13)18(6)15(19)20-16(3,4)5/h12-14,17H,7-11H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate?
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate is sourced from PubChem (CID 107255742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).