(4-methylcyclohexyl) carbamate

C8H15NO2 — CID 22083226

IUPAC(4-methylcyclohexyl) carbamate
SMILESCC1CCC(OC(N)=O)CC1
InChIInChI=1S/C8H15NO2/c1-6-2-4-7(5-3-6)11-8(9)10/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeySJUYSIWKVKBLQQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.66
Rot. Bonds1

About (4-methylcyclohexyl) carbamate

(4-methylcyclohexyl) carbamate (PubChem CID 22083226) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4-methylcyclohexyl) carbamate.

Molecular Properties

Compound Name(4-methylcyclohexyl) carbamate
PubChem CID22083226
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4-methylcyclohexyl) carbamate
SMILESCC1CCC(OC(N)=O)CC1
InChIInChI=1S/C8H15NO2/c1-6-2-4-7(5-3-6)11-8(9)10/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeySJUYSIWKVKBLQQ-UHFFFAOYSA-N
XLogP1.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-ylcyclohexyl) carbamate
CID 122545653
(4-aminocyclohexyl) carbamate;hydrochloride
CID 174943880
(4-methylcyclohexyl) (2S)-2-amino-3-methylbutanoate
CID 61278229
[4-(1-methylpiperidin-4-yl)cyclohexyl] carbamate
CID 175109270
(4-methylcyclohexyl) 4-amino-2-(4-methylcyclohexyl)-4-oxobutanoate
CID 90807124
(4-methylcyclohexyl) 2-amino-4-methylpentanoate
CID 61279653
(4-methylcyclohexyl) 2-amino-3-sulfanylpropanoate
CID 61278027
[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
[(1R,3R)-3-aminocyclopentyl] carbamate
CID 154024517
(4-oxocyclohexyl) carbamate
CID 68755566
[(3S)-3-aminocyclopentyl] carbamate
CID 175196107
(4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate
CID 107837520

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) carbamate?
The IUPAC name of (4-methylcyclohexyl) carbamate (CID 22083226) is (4-methylcyclohexyl) carbamate.
What is the SMILES notation for (4-methylcyclohexyl) carbamate?
The canonical SMILES for (4-methylcyclohexyl) carbamate is CC1CCC(OC(N)=O)CC1.
What is the InChIKey of (4-methylcyclohexyl) carbamate?
The InChIKey is SJUYSIWKVKBLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-2-4-7(5-3-6)11-8(9)10/h6-7H,2-5H2,1H3,(H2,9,10).
What are the key properties of (4-methylcyclohexyl) carbamate?
(4-methylcyclohexyl) carbamate has a molecular weight of 157.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) carbamate is sourced from PubChem (CID 22083226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).