(1-Methylcyclohexyl) carbamate

C8H15NO2 — CID 12129074

IUPAC(1-methylcyclohexyl) carbamate
SMILESCC1(CCCCC1)OC(=O)N
InChIInChI=1S/C8H15NO2/c1-8(11-7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H2,9,10)
InChIKeyAKIHTGIGOHBKGE-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.50
Rot. Bonds2

About (1-Methylcyclohexyl) carbamate

(1-Methylcyclohexyl) carbamate (PubChem CID 12129074) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1-methylcyclohexyl) carbamate.

Molecular Properties

Compound Name(1-Methylcyclohexyl) carbamate
PubChem CID12129074
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1-methylcyclohexyl) carbamate
SMILESCC1(CCCCC1)OC(=O)N
InChIInChI=1S/C8H15NO2/c1-8(11-7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H2,9,10)
InChIKeyAKIHTGIGOHBKGE-UHFFFAOYSA-N
XLogP1.50
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity150

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethinamate
CID 3284
Cyclohexanol, 1-(2-propyn-1-yl)-, 1-carbamate
CID 9661
Carbamic acid, 1-ethylcyclohexyl ester
CID 47207
(1-Butylcyclohexyl) carbamate
CID 20429703
(4-Methylcyclohexyl) carbamate
CID 22083226
(1-Tert-butylcyclohexyl) carbamate
CID 22447818
(1-Prop-1-ynylcyclohexyl) carbamate
CID 23616822
(1-Cyclohexyl-2-methylpropan-2-yl) carbamate
CID 67799418
(1-Propylcyclobutyl) carbamate
CID 69358206
5-Methylnonan-5-yl carbamate
CID 70408639
3,5-Diethyldecan-5-yl carbamate
CID 87315542
3,6-Dimethylheptan-3-yl carbamate
CID 88414607

Frequently Asked Questions

What is the IUPAC name of (1-Methylcyclohexyl) carbamate?
The IUPAC name of (1-Methylcyclohexyl) carbamate (CID 12129074) is (1-methylcyclohexyl) carbamate.
What is the SMILES notation for (1-Methylcyclohexyl) carbamate?
The canonical SMILES for (1-Methylcyclohexyl) carbamate is CC1(CCCCC1)OC(=O)N.
What is the InChIKey of (1-Methylcyclohexyl) carbamate?
The InChIKey is AKIHTGIGOHBKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(11-7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H2,9,10).
What are the key properties of (1-Methylcyclohexyl) carbamate?
(1-Methylcyclohexyl) carbamate has a molecular weight of 157.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-Methylcyclohexyl) carbamate is sourced from PubChem (CID 12129074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).