tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate

C14H28N2O2 — CID 115653280

IUPACtert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
SMILESCC1CCC(NCCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-11-6-7-12(10-11)15-8-5-9-16-13(17)18-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyMCDNNZVYGHRGRL-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.68
Rot. Bonds5

About tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate

tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate (PubChem CID 115653280) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
PubChem CID115653280
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
SMILESCC1CCC(NCCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-11-6-7-12(10-11)15-8-5-9-16-13(17)18-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyMCDNNZVYGHRGRL-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.68
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-[(3,4-dimethylcyclohexyl)amino]propyl]carbamate;hydrochloride
CID 119031354
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-methyl-N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 103699060
tert-butyl N-[7-[(4-aminocyclohexyl)amino]heptyl]carbamate
CID 177068003
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyrrolidine-1-carboxylate
CID 130163280
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
tert-butyl N-[3-[(1-methylazepan-4-yl)amino]propyl]carbamate
CID 103859795

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate (CID 115653280) is tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate is CC1CCC(NCCCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate?
The InChIKey is MCDNNZVYGHRGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-6-7-12(10-11)15-8-5-9-16-13(17)18-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate?
tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.68, 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-[(3-methylcyclopentyl)amino]propyl]carbamate is sourced from PubChem (CID 115653280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).