tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate

C16H32N2O2 — CID 79461433

IUPACtert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
SMILESCC(C)CC(C)NC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-11(2)9-12(3)17-13-7-8-14(10-13)18-15(19)20-16(4,5)6/h11-14,17H,7-10H2,1-6H3,(H,18,19)
InChIKeyQVRBLZORFMHOKM-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate

tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate (PubChem CID 79461433) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
PubChem CID79461433
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
SMILESCC(C)CC(C)NC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-11(2)9-12(3)17-13-7-8-14(10-13)18-15(19)20-16(4,5)6/h11-14,17H,7-10H2,1-6H3,(H,18,19)
InChIKeyQVRBLZORFMHOKM-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-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[3-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentyl]carbamate
CID 113247851
tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate
CID 103720194
tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate
CID 103720166
tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate
CID 80559507
tert-butyl N-[3-(4-methylsulfinylbutan-2-ylamino)cyclohexyl]carbamate
CID 104866904
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407
tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972049
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate (CID 79461433) is tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate is CC(C)CC(C)NC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate?
The InChIKey is QVRBLZORFMHOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-11(2)9-12(3)17-13-7-8-14(10-13)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-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(4-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-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate is sourced from PubChem (CID 79461433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).