tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate

C19H38N2O2 — CID 107253828

IUPACtert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CCCCC1C(C)C
InChIInChI=1S/C19H38N2O2/c1-7-10-15(13-20-18(22)23-19(4,5)6)21-17-12-9-8-11-16(17)14(2)3/h14-17,21H,7-13H2,1-6H3,(H,20,22)
InChIKeyAAMRGGNVKKSJGO-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.48
Rot. Bonds7

About tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate

tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate (PubChem CID 107253828) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
PubChem CID107253828
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CCCCC1C(C)C
InChIInChI=1S/C19H38N2O2/c1-7-10-15(13-20-18(22)23-19(4,5)6)21-17-12-9-8-11-16(17)14(2)3/h14-17,21H,7-13H2,1-6H3,(H,20,22)
InChIKeyAAMRGGNVKKSJGO-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
CID 107253520
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
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-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate
CID 107253767
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate
CID 107253648
tert-butyl N-[1-[(2-propan-2-ylcyclohexyl)amino]propan-2-yl]carbamate
CID 107247960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate (CID 107253828) is tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC1CCCCC1C(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate?
The InChIKey is AAMRGGNVKKSJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-7-10-15(13-20-18(22)23-19(4,5)6)21-17-12-9-8-11-16(17)14(2)3/h14-17,21H,7-13H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate?
tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.48, 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-propan-2-ylcyclohexyl)amino]pentyl]carbamate is sourced from PubChem (CID 107253828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).