2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide

C13H24N2O — CID 43216208

IUPAC2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CCCCC1
InChIInChI=1S/C13H24N2O/c1-3-9-14-13(16)11(2)15-10-12-7-5-4-6-8-12/h3,11-12,15H,1,4-10H2,2H3,(H,14,16)
InChIKeyHJMXXKBWPVYIMB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.85
Rot. Bonds6

About 2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide

2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide (PubChem CID 43216208) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
PubChem CID43216208
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CCCCC1
InChIInChI=1S/C13H24N2O/c1-3-9-14-13(16)11(2)15-10-12-7-5-4-6-8-12/h3,11-12,15H,1,4-10H2,2H3,(H,14,16)
InChIKeyHJMXXKBWPVYIMB-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 43086819
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide
CID 54927639
2-(cyclohexylmethylamino)propanamide
CID 43216154
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
2-(cyclopentylmethylamino)-N-(ethylcarbamoyl)propanamide
CID 43317222
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561
2-(2-methoxypropylamino)-N-prop-2-enylpropanamide
CID 102697960
2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
CID 115903241
ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 60811246
N-cyclohexyl-2-[(4-methylcyclohexyl)methylamino]propanamide
CID 61490835
(2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide
CID 2351355
prop-2-enyl N-(cyclohexylmethyl)carbamate
CID 137320456

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide (CID 43216208) is 2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide?
The InChIKey is HJMXXKBWPVYIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-9-14-13(16)11(2)15-10-12-7-5-4-6-8-12/h3,11-12,15H,1,4-10H2,2H3,(H,14,16).
What are the key properties of 2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide?
2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide has a molecular weight of 224.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43216208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).