tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate

C17H30N2O2 — CID 107243769

IUPACtert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1NC(C1CC1)C1CC1
InChIInChI=1S/C17H30N2O2/c1-17(2,3)21-16(20)19-14-6-4-5-13(14)18-15(11-7-8-11)12-9-10-12/h11-15,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyIFDQYKIGFKTRMG-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.21
Rot. Bonds5

About tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate

tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate (PubChem CID 107243769) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate
PubChem CID107243769
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nametert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1NC(C1CC1)C1CC1
InChIInChI=1S/C17H30N2O2/c1-17(2,3)21-16(20)19-14-6-4-5-13(14)18-15(11-7-8-11)12-9-10-12/h11-15,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyIFDQYKIGFKTRMG-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate
CID 107243876
tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 107243823
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
CID 107244084
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243716

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate (CID 107243769) is tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCCC1NC(C1CC1)C1CC1.
What is the InChIKey of tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate?
The InChIKey is IFDQYKIGFKTRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-17(2,3)21-16(20)19-14-6-4-5-13(14)18-15(11-7-8-11)12-9-10-12/h11-15,18H,4-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate?
tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate has a molecular weight of 294.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate is sourced from PubChem (CID 107243769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).