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

C17H34N2O2 — CID 107253520

IUPACtert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CCCC1CC
InChIInChI=1S/C17H34N2O2/c1-6-9-14(12-18-16(20)21-17(3,4)5)19-15-11-8-10-13(15)7-2/h13-15,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyWYLCSRTZSCKQDD-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.85
Rot. Bonds7

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

tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate (PubChem CID 107253520) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
PubChem CID107253520
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CCCC1CC
InChIInChI=1S/C17H34N2O2/c1-6-9-14(12-18-16(20)21-17(3,4)5)19-15-11-8-10-13(15)7-2/h13-15,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyWYLCSRTZSCKQDD-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
CID 107253828
tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
CID 103695809
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
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-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
CID 103949542
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate (CID 107253520) is tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC1CCCC1CC.
What is the InChIKey of tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate?
The InChIKey is WYLCSRTZSCKQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-9-14(12-18-16(20)21-17(3,4)5)19-15-11-8-10-13(15)7-2/h13-15,19H,6-12H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate?
tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.85, 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-ethylcyclopentyl)amino]pentyl]carbamate is sourced from PubChem (CID 107253520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).