2-cyclohexylacetic acid;ethane;methanamine

C11H25NO2 — CID 176577797

IUPAC2-cyclohexylacetic acid;ethane;methanamine
SMILESCC.CN.O=C(O)CC1CCCCC1
InChIInChI=1S/C8H14O2.C2H6.CH5N/c9-8(10)6-7-4-2-1-3-5-7;2*1-2/h7H,1-6H2,(H,9,10);1-2H3;2H2,1H3
InChIKeyIGNPXFRJSWVDQH-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.64
Rot. Bonds2

About 2-cyclohexylacetic acid;ethane;methanamine

2-cyclohexylacetic acid;ethane;methanamine (PubChem CID 176577797) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-cyclohexylacetic acid;ethane;methanamine.

Molecular Properties

Compound Name2-cyclohexylacetic acid;ethane;methanamine
PubChem CID176577797
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-cyclohexylacetic acid;ethane;methanamine
SMILESCC.CN.O=C(O)CC1CCCCC1
InChIInChI=1S/C8H14O2.C2H6.CH5N/c9-8(10)6-7-4-2-1-3-5-7;2*1-2/h7H,1-6H2,(H,9,10);1-2H3;2H2,1H3
InChIKeyIGNPXFRJSWVDQH-UHFFFAOYSA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
2-cyclohexylacetic acid;sulfuric acid
CID 174433718
2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine
CID 142535514
2-cyclodecylacetamide
CID 150110792
1-cyclohexadecylpropan-2-one
CID 175123721
3-cyclohexyl-2-oxopropanoic acid
CID 160850076
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid
CID 145213044
2-(phosphepan-3-yl)acetic acid
CID 141089155
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylacetic acid;ethane;methanamine?
The IUPAC name of 2-cyclohexylacetic acid;ethane;methanamine (CID 176577797) is 2-cyclohexylacetic acid;ethane;methanamine.
What is the SMILES notation for 2-cyclohexylacetic acid;ethane;methanamine?
The canonical SMILES for 2-cyclohexylacetic acid;ethane;methanamine is CC.CN.O=C(O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexylacetic acid;ethane;methanamine?
The InChIKey is IGNPXFRJSWVDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C2H6.CH5N/c9-8(10)6-7-4-2-1-3-5-7;2*1-2/h7H,1-6H2,(H,9,10);1-2H3;2H2,1H3.
What are the key properties of 2-cyclohexylacetic acid;ethane;methanamine?
2-cyclohexylacetic acid;ethane;methanamine has a molecular weight of 203.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylacetic acid;ethane;methanamine is sourced from PubChem (CID 176577797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).