tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate

C18H34N2O2 — CID 103738428

IUPACtert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2CCCC2(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-17(2,3)22-16(21)20-14-10-8-13(9-11-14)19-15-7-6-12-18(15,4)5/h13-15,19H,6-12H2,1-5H3,(H,20,21)
InChIKeyNXMVJAGSEPQVSV-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.99
Rot. Bonds3

About tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate (PubChem CID 103738428) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate
PubChem CID103738428
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2CCCC2(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-17(2,3)22-16(21)20-14-10-8-13(9-11-14)19-15-7-6-12-18(15,4)5/h13-15,19H,6-12H2,1-5H3,(H,20,21)
InChIKeyNXMVJAGSEPQVSV-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 4-[(2,2-dimethylcyclopentyl)amino]azepane-1-carboxylate
CID 103982462
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]cyclopentyl]carbamate
CID 79462888
tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate
CID 103949188
tert-butyl N-[4-[(5,5-dimethylthian-3-yl)amino]cyclohexyl]carbamate
CID 107241721
tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate
CID 165465207
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
CID 103948953
tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 103949089
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
N-cyclopropyl-2,2-dimethylcyclohexan-1-amine
CID 79828410

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate (CID 103738428) is tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NC2CCCC2(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate?
The InChIKey is NXMVJAGSEPQVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-17(2,3)22-16(21)20-14-10-8-13(9-11-14)19-15-7-6-12-18(15,4)5/h13-15,19H,6-12H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(2,2-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-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 103738428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).