tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate

C16H32N2O2 — CID 79461574

IUPACtert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
SMILESCC(C)CCCNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)7-6-10-17-13-8-9-14(11-13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeySGPNVFQJERWZSS-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds6

About tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate

tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate (PubChem CID 79461574) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
PubChem CID79461574
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
SMILESCC(C)CCCNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)7-6-10-17-13-8-9-14(11-13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeySGPNVFQJERWZSS-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893
tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
CID 115516381
tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate
CID 80559507
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
CID 79462833
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate (CID 79461574) is tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate is CC(C)CCCNC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate?
The InChIKey is SGPNVFQJERWZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)7-6-10-17-13-8-9-14(11-13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.46, 6 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-methylpentylamino)cyclopentyl]carbamate is sourced from PubChem (CID 79461574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).