tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate

C16H32N2O3 — CID 104624820

IUPACtert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCOC1CCCC(NCC(C)(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O3/c1-15(2,3)21-14(19)18-16(4,5)11-17-12-8-7-9-13(10-12)20-6/h12-13,17H,7-11H2,1-6H3,(H,18,19)
InChIKeyKHXMSKOAKFEULM-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.84
Rot. Bonds5

About tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate (PubChem CID 104624820) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
PubChem CID104624820
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCOC1CCCC(NCC(C)(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O3/c1-15(2,3)21-14(19)18-16(4,5)11-17-12-8-7-9-13(10-12)20-6/h12-13,17H,7-11H2,1-6H3,(H,18,19)
InChIKeyKHXMSKOAKFEULM-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]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-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-ol
CID 65107402
tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
CID 104624574
tert-butyl N-[3-[(3-methoxycyclohexyl)amino]propyl]-N-methylcarbamate
CID 107242031
tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
CID 107251671
tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 103991365
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
CID 107257517
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[[2-[(3-methoxycyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 104584543

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate (CID 104624820) is tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate is COC1CCCC(NCC(C)(C)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate?
The InChIKey is KHXMSKOAKFEULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-15(2,3)21-14(19)18-16(4,5)11-17-12-8-7-9-13(10-12)20-6/h12-13,17H,7-11H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 104624820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).