3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide

C13H26N2O2 — CID 62835204

IUPAC3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
SMILESCCNCCC(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C13H26N2O2/c1-3-14-8-6-12(17)15-13(10-16)7-4-5-11(2)9-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyMWQNEVBGXKZJJJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds6

About 3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide

3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide (PubChem CID 62835204) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
PubChem CID62835204
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
SMILESCCNCCC(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C13H26N2O2/c1-3-14-8-6-12(17)15-13(10-16)7-4-5-11(2)9-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyMWQNEVBGXKZJJJ-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide
CID 62525990
N-[1-(hydroxymethyl)-3-methylcyclohexyl]pent-4-enamide
CID 62678355
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide
CID 82012547
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
CID 62527893
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide
CID 62527367
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]hexanamide
CID 82851944
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-piperidin-3-ylacetamide
CID 62674573
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
CID 62527897
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 114328607
3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62526163
N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide
CID 114304010

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide (CID 62835204) is 3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide is CCNCCC(=O)NC1(CO)CCCC(C)C1.
What is the InChIKey of 3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
The InChIKey is MWQNEVBGXKZJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-14-8-6-12(17)15-13(10-16)7-4-5-11(2)9-13/h11,14,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide is sourced from PubChem (CID 62835204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).