2-pentylnonyl N,N-dipropylcarbamate

C21H43NO2 — CID 129131688

IUPAC2-pentylnonyl N,N-dipropylcarbamate
SMILESCCCCCCCC(CCCCC)COC(=O)N(CCC)CCC
InChIInChI=1S/C21H43NO2/c1-5-9-11-12-14-16-20(15-13-10-6-2)19-24-21(23)22(17-7-3)18-8-4/h20H,5-19H2,1-4H3
InChIKeyBGPIDAKXVJDDAJ-UHFFFAOYSA-N
MW341.58 g/mol
LogP6.80
Rot. Bonds16

About 2-pentylnonyl N,N-dipropylcarbamate

2-pentylnonyl N,N-dipropylcarbamate (PubChem CID 129131688) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 2-pentylnonyl N,N-dipropylcarbamate.

Molecular Properties

Compound Name2-pentylnonyl N,N-dipropylcarbamate
PubChem CID129131688
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name2-pentylnonyl N,N-dipropylcarbamate
SMILESCCCCCCCC(CCCCC)COC(=O)N(CCC)CCC
InChIInChI=1S/C21H43NO2/c1-5-9-11-12-14-16-20(15-13-10-6-2)19-24-21(23)22(17-7-3)18-8-4/h20H,5-19H2,1-4H3
InChIKeyBGPIDAKXVJDDAJ-UHFFFAOYSA-N
XLogP6.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-octyldodecyl hydrogen carbonate
CID 89413986
2-pentylheptyl 6-[2-[3-(diethylamino)propyl-[2-[[6-oxo-6-(2-pentylheptoxy)hexyl]-propylcarbamoyl]oxyethyl]amino]ethoxycarbonyl-propylamino]hexanoate
CID 177165295
2-(hydroxymethyl)docosyl N,N-dimethylcarbamate
CID 157446903
2-butyloctyl carbamate
CID 22099120
bis(2-hexyldecyl) (E)-but-2-enedioate
CID 6366024
2-decylhexadecyl 2-decyloctadecanoate
CID 139900333
2-butyltridecyl acetate
CID 163783668
2-decyltetradecyl propanoate
CID 160958817
2-butyloctyl acetate
CID 87569476
2-propylundecyl acetate
CID 170849319
[(2R)-2-hexadecylicosyl] octanoate
CID 98094426
[(2S)-2-octyldodecyl] octadecanoate
CID 73415853

Frequently Asked Questions

What is the IUPAC name of 2-pentylnonyl N,N-dipropylcarbamate?
The IUPAC name of 2-pentylnonyl N,N-dipropylcarbamate (CID 129131688) is 2-pentylnonyl N,N-dipropylcarbamate.
What is the SMILES notation for 2-pentylnonyl N,N-dipropylcarbamate?
The canonical SMILES for 2-pentylnonyl N,N-dipropylcarbamate is CCCCCCCC(CCCCC)COC(=O)N(CCC)CCC.
What is the InChIKey of 2-pentylnonyl N,N-dipropylcarbamate?
The InChIKey is BGPIDAKXVJDDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-5-9-11-12-14-16-20(15-13-10-6-2)19-24-21(23)22(17-7-3)18-8-4/h20H,5-19H2,1-4H3.
What are the key properties of 2-pentylnonyl N,N-dipropylcarbamate?
2-pentylnonyl N,N-dipropylcarbamate has a molecular weight of 341.58 g/mol, XLogP of 6.80, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylnonyl N,N-dipropylcarbamate is sourced from PubChem (CID 129131688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).