tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate

C14H28N2O2 — CID 163374886

IUPACtert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate
SMILESCN(C)CCC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)15-12-7-6-11(10-12)8-9-16(4)5/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyXSJHSJXFFFDWQK-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate

tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate (PubChem CID 163374886) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate
PubChem CID163374886
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate
SMILESCN(C)CCC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)15-12-7-6-11(10-12)8-9-16(4)5/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyXSJHSJXFFFDWQK-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl acetate
CID 175325980
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
CID 165465288
2-[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl methanesulfonate
CID 18453433
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[3-(iodomethyl)cyclohexyl]carbamate
CID 70036969

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate (CID 163374886) is tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate is CN(C)CCC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate?
The InChIKey is XSJHSJXFFFDWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)15-12-7-6-11(10-12)8-9-16(4)5/h11-12H,6-10H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate?
tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate is sourced from PubChem (CID 163374886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).