tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate

C17H32N2O2 — CID 107246341

IUPACtert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C1CC1)C1CCCC1
InChIInChI=1S/C17H32N2O2/c1-13(14-7-5-6-8-14)18-11-12-19(15-9-10-15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyDZXZRNJJCPFDSQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.55
Rot. Bonds6

About tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate

tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate (PubChem CID 107246341) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
PubChem CID107246341
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C1CC1)C1CCCC1
InChIInChI=1S/C17H32N2O2/c1-13(14-7-5-6-8-14)18-11-12-19(15-9-10-15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyDZXZRNJJCPFDSQ-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
CID 103780903
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
tert-butyl N-cyclopropyl-N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 103780880
methyl 2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 103711065
tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate
CID 107251904
tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
CID 107246413
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
CID 107242908
tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
CID 103781366
tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245567
tert-butyl N-cyclopropyl-N-[2-(2,2-dimethoxyethylamino)ethyl]carbamate
CID 107246428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate (CID 107246341) is tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate is CC(NCCN(C(=O)OC(C)(C)C)C1CC1)C1CCCC1.
What is the InChIKey of tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate?
The InChIKey is DZXZRNJJCPFDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(14-7-5-6-8-14)18-11-12-19(15-9-10-15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate?
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate has a molecular weight of 296.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 107246341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).