tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate

C18H34N2O2 — CID 103949188

IUPACtert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate
SMILESCC1(C)CCC(NC2CCC(NC(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H34N2O2/c1-17(2,3)22-16(21)20-14-8-6-13(7-9-14)19-15-10-11-18(4,5)12-15/h13-15,19H,6-12H2,1-5H3,(H,20,21)
InChIKeyODTSXAJSZIOALJ-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.99
Rot. Bonds3

About tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate (PubChem CID 103949188) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate
PubChem CID103949188
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate
SMILESCC1(C)CCC(NC2CCC(NC(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H34N2O2/c1-17(2,3)22-16(21)20-14-8-6-13(7-9-14)19-15-10-11-18(4,5)12-15/h13-15,19H,6-12H2,1-5H3,(H,20,21)
InChIKeyODTSXAJSZIOALJ-UHFFFAOYSA-N
XLogP3.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[(5,5-dimethylthian-3-yl)amino]cyclohexyl]carbamate
CID 107241721
tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate
CID 103738428
tert-butyl N-[3,3-dimethyl-5-(oxan-4-ylamino)cyclohexyl]carbamate
CID 167781892
tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
CID 174975403
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]cyclopentyl]carbamate
CID 79462888
tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
CID 103578438
tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
CID 103948953
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate (CID 103949188) is tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate is CC1(C)CCC(NC2CCC(NC(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate?
The InChIKey is ODTSXAJSZIOALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-17(2,3)22-16(21)20-14-8-6-13(7-9-14)19-15-10-11-18(4,5)12-15/h13-15,19H,6-12H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 103949188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).