2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine

C14H29NO2 — CID 142535514

IUPAC2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)C.O=C(O)CC1CCCCC1
InChIInChI=1S/C8H14O2.C6H15N/c9-8(10)6-7-4-2-1-3-5-7;1-4-7-5-6(2)3/h7H,1-6H2,(H,9,10);6-7H,4-5H2,1-3H3
InChIKeyWANQTSYUJWGRRY-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.29
Rot. Bonds5

About 2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine

2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine (PubChem CID 142535514) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine
PubChem CID142535514
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)C.O=C(O)CC1CCCCC1
InChIInChI=1S/C8H14O2.C6H15N/c9-8(10)6-7-4-2-1-3-5-7;1-4-7-5-6(2)3/h7H,1-6H2,(H,9,10);6-7H,4-5H2,1-3H3
InChIKeyWANQTSYUJWGRRY-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylethyl)-3-(ethylamino)-2-methylpropanamide
CID 62853087
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
2-cyclohexylacetic acid;sulfuric acid
CID 174433718
N-(cyclobutylmethyl)-3-(ethylamino)-2-methylpropanamide
CID 62853240
2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate
CID 106203022
3-cyclopentyl-N-ethyl-2-methylpropan-1-amine
CID 62528074
N-cyclobutyl-3-(ethylamino)-2-methylpropanamide
CID 62839829
3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide
CID 113394748
1-[3-(ethylamino)-2-methylpropanoyl]azepane-2-carboxylic acid
CID 64564263
N-(2-cyclopentyloxyethyl)-3-(ethylamino)-2-methylpropanamide
CID 63828827

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine (CID 142535514) is 2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine is CCNCC(C)C.O=C(O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine?
The InChIKey is WANQTSYUJWGRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C6H15N/c9-8(10)6-7-4-2-1-3-5-7;1-4-7-5-6(2)3/h7H,1-6H2,(H,9,10);6-7H,4-5H2,1-3H3.
What are the key properties of 2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine?
2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 142535514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).