(3-methylcyclohexyl)carbamic acid

C8H15NO2 — CID 67410451

IUPAC(3-methylcyclohexyl)carbamic acid
SMILESCC1CCCC(NC(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-6-3-2-4-7(5-6)9-8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyXTGHYFOQTDYRRF-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.83
Rot. Bonds1

About (3-methylcyclohexyl)carbamic acid

(3-methylcyclohexyl)carbamic acid (PubChem CID 67410451) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3-methylcyclohexyl)carbamic acid.

Molecular Properties

Compound Name(3-methylcyclohexyl)carbamic acid
PubChem CID67410451
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3-methylcyclohexyl)carbamic acid
SMILESCC1CCCC(NC(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-6-3-2-4-7(5-6)9-8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyXTGHYFOQTDYRRF-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylcycloheptyl)carbamic acid
CID 143291001
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
cis-(1S,3R)-3-methylcyclohexane-1-carboxylic acid;N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 158462495
(2R)-2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 78972462
2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 61198953
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)carbamic acid?
The IUPAC name of (3-methylcyclohexyl)carbamic acid (CID 67410451) is (3-methylcyclohexyl)carbamic acid.
What is the SMILES notation for (3-methylcyclohexyl)carbamic acid?
The canonical SMILES for (3-methylcyclohexyl)carbamic acid is CC1CCCC(NC(=O)O)C1.
What is the InChIKey of (3-methylcyclohexyl)carbamic acid?
The InChIKey is XTGHYFOQTDYRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-2-4-7(5-6)9-8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of (3-methylcyclohexyl)carbamic acid?
(3-methylcyclohexyl)carbamic acid has a molecular weight of 157.21 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)carbamic acid is sourced from PubChem (CID 67410451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).