2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide

C13H24N2O2 — CID 55082317

IUPAC2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1(CO)CCCCC1
InChIInChI=1S/C13H24N2O2/c1-3-9-14-12(17)11(2)15-13(10-16)7-5-4-6-8-13/h3,11,15-16H,1,4-10H2,2H3,(H,14,17)
InChIKeyOIEHAANWOHKVPA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.96
Rot. Bonds6

About 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide

2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide (PubChem CID 55082317) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide
PubChem CID55082317
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1(CO)CCCCC1
InChIInChI=1S/C13H24N2O2/c1-3-9-14-12(17)11(2)15-13(10-16)7-5-4-6-8-13/h3,11,15-16H,1,4-10H2,2H3,(H,14,17)
InChIKeyOIEHAANWOHKVPA-UHFFFAOYSA-N
XLogP0.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide
CID 106297634
N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide
CID 62522232
1-(azepan-1-yl)-2-[[1-(hydroxymethyl)cyclopentyl]amino]propan-1-one
CID 62518829
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate
CID 62518465
2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpropanoic acid
CID 43086545
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide
CID 64549565
2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
CID 43216208
N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide
CID 79278936
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide
CID 107865308
N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide
CID 62553010
2,3-dimethyl-4-oxo-4-(prop-2-enylamino)butanoic acid
CID 58883098

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide (CID 55082317) is 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC1(CO)CCCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide?
The InChIKey is OIEHAANWOHKVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-9-14-12(17)11(2)15-13(10-16)7-5-4-6-8-13/h3,11,15-16H,1,4-10H2,2H3,(H,14,17).
What are the key properties of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide?
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 55082317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).