tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate

C16H32N2O2 — CID 107243823

IUPACtert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate
SMILESCCC(C)C(C)NC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-7-11(2)12(3)17-13-9-8-10-14(13)18-15(19)20-16(4,5)6/h11-14,17H,7-10H2,1-6H3,(H,18,19)
InChIKeyHHAPGKADJRXCRQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate

tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate (PubChem CID 107243823) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate
PubChem CID107243823
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate
SMILESCCC(C)C(C)NC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-7-11(2)12(3)17-13-9-8-10-14(13)18-15(19)20-16(4,5)6/h11-14,17H,7-10H2,1-6H3,(H,18,19)
InChIKeyHHAPGKADJRXCRQ-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.46
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-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate
CID 107243876
tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate
CID 107243769
tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
CID 107244084
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl 2-methyl-3-(3-methylpentan-2-ylamino)piperidine-1-carboxylate
CID 107256753
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate (CID 107243823) is tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate is CCC(C)C(C)NC1CCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate?
The InChIKey is HHAPGKADJRXCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-11(2)12(3)17-13-9-8-10-14(13)18-15(19)20-16(4,5)6/h11-14,17H,7-10H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate?
tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.46, 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-(3-methylpentan-2-ylamino)cyclopentyl]carbamate is sourced from PubChem (CID 107243823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).