tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate

C18H36N2O2 — CID 107254193

IUPACtert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)NC1CCCC(C)C1C
InChIInChI=1S/C18H36N2O2/c1-12(2)16(11-19-17(21)22-18(5,6)7)20-15-10-8-9-13(3)14(15)4/h12-16,20H,8-11H2,1-7H3,(H,19,21)
InChIKeyGHSNMWVVIFEZBP-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.95
Rot. Bonds5

About tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate

tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate (PubChem CID 107254193) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate
PubChem CID107254193
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)NC1CCCC(C)C1C
InChIInChI=1S/C18H36N2O2/c1-12(2)16(11-19-17(21)22-18(5,6)7)20-15-10-8-9-13(3)14(15)4/h12-16,20H,8-11H2,1-7H3,(H,19,21)
InChIKeyGHSNMWVVIFEZBP-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate
CID 107254053
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248139
tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate
CID 107254308
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
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tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate
CID 103791717
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248380
tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate
CID 107254177
N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide
CID 43113278

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate (CID 107254193) is tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate is CC(C)C(CNC(=O)OC(C)(C)C)NC1CCCC(C)C1C.
What is the InChIKey of tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate?
The InChIKey is GHSNMWVVIFEZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-12(2)16(11-19-17(21)22-18(5,6)7)20-15-10-8-9-13(3)14(15)4/h12-16,20H,8-11H2,1-7H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate?
tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate is sourced from PubChem (CID 107254193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).