tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate

C15H30N2O2 — CID 79462575

IUPACtert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
SMILESCCCCCNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-5-6-7-10-16-12-8-9-13(11-12)17-14(18)19-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyTWZMYFRWEJEOHR-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.21
Rot. Bonds6

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

tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate (PubChem CID 79462575) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
PubChem CID79462575
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
SMILESCCCCCNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-5-6-7-10-16-12-8-9-13(11-12)17-14(18)19-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyTWZMYFRWEJEOHR-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.21
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-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
CID 115516381
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
CID 79462833
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate (CID 79462575) is tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate is CCCCCNC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate?
The InChIKey is TWZMYFRWEJEOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-6-7-10-16-12-8-9-13(11-12)17-14(18)19-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.21, 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-(pentylamino)cyclopentyl]carbamate is sourced from PubChem (CID 79462575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).