5-propylnonan-2-yl carbamate

C13H27NO2 — CID 90320212

IUPAC5-propylnonan-2-yl carbamate
SMILESCCCCC(CCC)CCC(C)OC(N)=O
InChIInChI=1S/C13H27NO2/c1-4-6-8-12(7-5-2)10-9-11(3)16-13(14)15/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyBKCQTKVGKSBYAB-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.86
Rot. Bonds9

About 5-propylnonan-2-yl carbamate

5-propylnonan-2-yl carbamate (PubChem CID 90320212) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 5-propylnonan-2-yl carbamate.

Molecular Properties

Compound Name5-propylnonan-2-yl carbamate
PubChem CID90320212
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name5-propylnonan-2-yl carbamate
SMILESCCCCC(CCC)CCC(C)OC(N)=O
InChIInChI=1S/C13H27NO2/c1-4-6-8-12(7-5-2)10-9-11(3)16-13(14)15/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyBKCQTKVGKSBYAB-UHFFFAOYSA-N
XLogP3.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

dodecan-2-yl carbamate
CID 87166225
nonan-2-yl carbamate
CID 19093303
2-propylhexyl 2-methylpropanoate
CID 129131557
(5R)-2-methyl-5-propylnonane
CID 162842430
methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
6-butyldodecan-2-yl octanoate
CID 174595490
pentan-2-yl 2-butyloctanoate
CID 126658986
ethane;2-methyl-5-propylnonane
CID 171073854
hexan-2-yl propanoate
CID 54289868
hexan-2-yl acetate;methane
CID 159910641
[(2R)-hexan-2-yl] carbonochloridate
CID 124629804

Frequently Asked Questions

What is the IUPAC name of 5-propylnonan-2-yl carbamate?
The IUPAC name of 5-propylnonan-2-yl carbamate (CID 90320212) is 5-propylnonan-2-yl carbamate.
What is the SMILES notation for 5-propylnonan-2-yl carbamate?
The canonical SMILES for 5-propylnonan-2-yl carbamate is CCCCC(CCC)CCC(C)OC(N)=O.
What is the InChIKey of 5-propylnonan-2-yl carbamate?
The InChIKey is BKCQTKVGKSBYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-6-8-12(7-5-2)10-9-11(3)16-13(14)15/h11-12H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 5-propylnonan-2-yl carbamate?
5-propylnonan-2-yl carbamate has a molecular weight of 229.36 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylnonan-2-yl carbamate is sourced from PubChem (CID 90320212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).