tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate

C19H38N2O2 — CID 107253767

IUPACtert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CCC(C)(C)CC1C
InChIInChI=1S/C19H38N2O2/c1-8-9-15(13-20-17(22)23-18(3,4)5)21-16-10-11-19(6,7)12-14(16)2/h14-16,21H,8-13H2,1-7H3,(H,20,22)
InChIKeyYWCGVABRKZFOFJ-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.48
Rot. Bonds6

About tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate

tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate (PubChem CID 107253767) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate
PubChem CID107253767
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CCC(C)(C)CC1C
InChIInChI=1S/C19H38N2O2/c1-8-9-15(13-20-17(22)23-18(3,4)5)21-16-10-11-19(6,7)12-14(16)2/h14-16,21H,8-13H2,1-7H3,(H,20,22)
InChIKeyYWCGVABRKZFOFJ-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
CID 107253520
tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
CID 107253828
tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate
CID 107253596
tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate
CID 107251762
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597
tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
CID 107256444
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate (CID 107253767) is tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC1CCC(C)(C)CC1C.
What is the InChIKey of tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate?
The InChIKey is YWCGVABRKZFOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-8-9-15(13-20-17(22)23-18(3,4)5)21-16-10-11-19(6,7)12-14(16)2/h14-16,21H,8-13H2,1-7H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate?
tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate is sourced from PubChem (CID 107253767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).