cyclobutyl N-(4-methylpentyl)carbamate

C11H21NO2 — CID 164797189

IUPACcyclobutyl N-(4-methylpentyl)carbamate
SMILESCC(C)CCCNC(=O)OC1CCC1
InChIInChI=1S/C11H21NO2/c1-9(2)5-4-8-12-11(13)14-10-6-3-7-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyVODNZJMLAGINQA-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.70
Rot. Bonds5

About cyclobutyl N-(4-methylpentyl)carbamate

cyclobutyl N-(4-methylpentyl)carbamate (PubChem CID 164797189) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is cyclobutyl N-(4-methylpentyl)carbamate.

Molecular Properties

Compound Namecyclobutyl N-(4-methylpentyl)carbamate
PubChem CID164797189
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namecyclobutyl N-(4-methylpentyl)carbamate
SMILESCC(C)CCCNC(=O)OC1CCC1
InChIInChI=1S/C11H21NO2/c1-9(2)5-4-8-12-11(13)14-10-6-3-7-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyVODNZJMLAGINQA-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
cyclopropyl N-butylcarbamate
CID 165447718
cyclopentyl N-(3-propylsulfanylpropyl)carbamate
CID 141077176
cyclopentyl N-ethylcarbamate
CID 54482890
piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 130348715
cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate
CID 112738847
(2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid
CID 90090745
cyclohexyl N-ethylcarbamate
CID 22978796
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
CID 61043178
piperidin-3-yl N-butylcarbamate
CID 68747208
[(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate
CID 118053668

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-(4-methylpentyl)carbamate?
The IUPAC name of cyclobutyl N-(4-methylpentyl)carbamate (CID 164797189) is cyclobutyl N-(4-methylpentyl)carbamate.
What is the SMILES notation for cyclobutyl N-(4-methylpentyl)carbamate?
The canonical SMILES for cyclobutyl N-(4-methylpentyl)carbamate is CC(C)CCCNC(=O)OC1CCC1.
What is the InChIKey of cyclobutyl N-(4-methylpentyl)carbamate?
The InChIKey is VODNZJMLAGINQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)5-4-8-12-11(13)14-10-6-3-7-10/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of cyclobutyl N-(4-methylpentyl)carbamate?
cyclobutyl N-(4-methylpentyl)carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-(4-methylpentyl)carbamate is sourced from PubChem (CID 164797189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).