1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone

C14H25NO — CID 104750812

IUPAC1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)C1CCCCC1)CC1CC1
InChIInChI=1S/C14H25NO/c1-2-15(10-12-8-9-12)11-14(16)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3
InChIKeyDCXRJZAJTKEUFA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds6

About 1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone

1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone (PubChem CID 104750812) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone
PubChem CID104750812
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)C1CCCCC1)CC1CC1
InChIInChI=1S/C14H25NO/c1-2-15(10-12-8-9-12)11-14(16)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3
InChIKeyDCXRJZAJTKEUFA-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
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2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
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2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
1-cyclohexyl-2-[cyclopentyl(ethyl)amino]ethanone
CID 104750031
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CID 115007037
1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 104750169
2-(diethylamino)-1-piperidin-4-ylethanone
CID 115006957
1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
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N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
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2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol
CID 63939487

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone (CID 104750812) is 1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone is CCN(CC(=O)C1CCCCC1)CC1CC1.
What is the InChIKey of 1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone?
The InChIKey is DCXRJZAJTKEUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-15(10-12-8-9-12)11-14(16)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone?
1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone has a molecular weight of 223.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone is sourced from PubChem (CID 104750812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).