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

C19H38N2O2 — CID 107256444

IUPACtert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CCCCC1(C)C
InChIInChI=1S/C19H38N2O2/c1-7-8-11-15(14-20-17(22)23-18(2,3)4)21-16-12-9-10-13-19(16,5)6/h15-16,21H,7-14H2,1-6H3,(H,20,22)
InChIKeyMUDMUOCJXMBRNO-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.63
Rot. Bonds7

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

tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate (PubChem CID 107256444) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
PubChem CID107256444
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CCCCC1(C)C
InChIInChI=1S/C19H38N2O2/c1-7-8-11-15(14-20-17(22)23-18(2,3)4)21-16-12-9-10-13-19(16,5)6/h15-16,21H,7-14H2,1-6H3,(H,20,22)
InChIKeyMUDMUOCJXMBRNO-UHFFFAOYSA-N
XLogP4.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
CID 107256495
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
CID 103894993
tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate
CID 107253596
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)hexyl]carbamate
CID 107256507
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate
CID 107253767
tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
CID 107253828
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
CID 107253520

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate (CID 107256444) is tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NC1CCCCC1(C)C.
What is the InChIKey of tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate?
The InChIKey is MUDMUOCJXMBRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-7-8-11-15(14-20-17(22)23-18(2,3)4)21-16-12-9-10-13-19(16,5)6/h15-16,21H,7-14H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate?
tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate is sourced from PubChem (CID 107256444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).