2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one

C15H29NO2 — CID 113469011

IUPAC2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC)CCCO)C1
InChIInChI=1S/C15H29NO2/c1-3-6-13-7-8-15(18)14(11-13)12-16(4-2)9-5-10-17/h13-14,17H,3-12H2,1-2H3
InChIKeyMCJJBOMMNSNNMC-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.48
Rot. Bonds8

About 2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one

2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 113469011) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID113469011
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC)CCCO)C1
InChIInChI=1S/C15H29NO2/c1-3-6-13-7-8-15(18)14(11-13)12-16(4-2)9-5-10-17/h13-14,17H,3-12H2,1-2H3
InChIKeyMCJJBOMMNSNNMC-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one
CID 55094828
2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 63483178
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62614047
2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one
CID 62611855
4-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-one
CID 62612886
2-(2-ethylbutyl)-4-propylcyclohexan-1-one
CID 82928662
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62612572
N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide
CID 79417509
2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one
CID 62612678
2-(diethylaminomethyl)-4-methylcyclohexan-1-one
CID 62611674
2-(3,3-dimethylbutyl)-4-propylcyclohexan-1-one
CID 63399562
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one (CID 113469011) is 2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(CC)CCCO)C1.
What is the InChIKey of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is MCJJBOMMNSNNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-6-13-7-8-15(18)14(11-13)12-16(4-2)9-5-10-17/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 255.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 113469011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).