1-cyclohexylpropyl carbamate

C10H19NO2 — CID 3050432

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IUPAC1-cyclohexylpropyl carbamate
SMILESCCC(OC(N)=O)C1CCCCC1
InChIInChI=1S/C10H19NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyIGISNRIWPJVXDB-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.44
Rot. Bonds3

About 1-cyclohexylpropyl carbamate

1-cyclohexylpropyl carbamate (PubChem CID 3050432) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-cyclohexylpropyl carbamate.

Molecular Properties

Compound Name1-cyclohexylpropyl carbamate
PubChem CID3050432
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-cyclohexylpropyl carbamate
SMILESCCC(OC(N)=O)C1CCCCC1
InChIInChI=1S/C10H19NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyIGISNRIWPJVXDB-UHFFFAOYSA-N
XLogP2.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Carbamic acid, 2-ethylhexyl ester
CID 94289
Carbamic acid, 1-ethylcyclohexyl ester
CID 47207
3-Heptanol, 4-propyl-, carbamate
CID 3040242
1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate
CID 218955
Cyclohexylmethyl carbamate
CID 245831
(1r,2s,5r)-2-Isopropyl-5-methylcyclohexyl carbamate
CID 2755306
(-)-Menthyl carbamate
CID 22027366
[(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate
CID 162781158
(1-Cyclohexyl-1,3-difluoropropan-2-yl) carbamate
CID 162781236
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbamate
CID 124363040
(2-Carbamoyloxycyclohexyl)methyl carbamate
CID 222678
8-Methylnonyl carbamate
CID 20148773

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpropyl carbamate?
The IUPAC name of 1-cyclohexylpropyl carbamate (CID 3050432) is 1-cyclohexylpropyl carbamate.
What is the SMILES notation for 1-cyclohexylpropyl carbamate?
The canonical SMILES for 1-cyclohexylpropyl carbamate is CCC(OC(N)=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylpropyl carbamate?
The InChIKey is IGISNRIWPJVXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H2,11,12).
What are the key properties of 1-cyclohexylpropyl carbamate?
1-cyclohexylpropyl carbamate has a molecular weight of 185.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpropyl carbamate is sourced from PubChem (CID 3050432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).