tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate

C19H36N2O2 — CID 103949089

IUPACtert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
SMILESCC1(CNC2CCC(NC(=O)OC(C)(C)C)CC2)CCCCC1
InChIInChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)21-16-10-8-15(9-11-16)20-14-19(4)12-6-5-7-13-19/h15-16,20H,5-14H2,1-4H3,(H,21,22)
InChIKeyVDEHVVGMZYASHG-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.38
Rot. Bonds4

About tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate

tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate (PubChem CID 103949089) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
PubChem CID103949089
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
SMILESCC1(CNC2CCC(NC(=O)OC(C)(C)C)CC2)CCCCC1
InChIInChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)21-16-10-8-15(9-11-16)20-14-19(4)12-6-5-7-13-19/h15-16,20H,5-14H2,1-4H3,(H,21,22)
InChIKeyVDEHVVGMZYASHG-UHFFFAOYSA-N
XLogP4.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]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-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
CID 103948953
tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 114116040
tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 103715573
tert-butyl N-[3-[(2-methyloxolan-2-yl)methylamino]cyclobutyl]carbamate
CID 80562464
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate
CID 103738428
tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate
CID 168782686
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate (CID 103949089) is tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate is CC1(CNC2CCC(NC(=O)OC(C)(C)C)CC2)CCCCC1.
What is the InChIKey of tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate?
The InChIKey is VDEHVVGMZYASHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)21-16-10-8-15(9-11-16)20-14-19(4)12-6-5-7-13-19/h15-16,20H,5-14H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate has a molecular weight of 324.51 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103949089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).