3-(hex-5-en-2-ylamino)-N-methylpropanamide

C10H20N2O — CID 104581947

IUPAC3-(hex-5-en-2-ylamino)-N-methylpropanamide
SMILESC=CCCC(C)NCCC(=O)NC
InChIInChI=1S/C10H20N2O/c1-4-5-6-9(2)12-8-7-10(13)11-3/h4,9,12H,1,5-8H2,2-3H3,(H,11,13)
InChIKeyRAOXUUKKZOVCPI-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.07
Rot. Bonds7

About 3-(hex-5-en-2-ylamino)-N-methylpropanamide

3-(hex-5-en-2-ylamino)-N-methylpropanamide (PubChem CID 104581947) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(hex-5-en-2-ylamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(hex-5-en-2-ylamino)-N-methylpropanamide
PubChem CID104581947
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(hex-5-en-2-ylamino)-N-methylpropanamide
SMILESC=CCCC(C)NCCC(=O)NC
InChIInChI=1S/C10H20N2O/c1-4-5-6-9(2)12-8-7-10(13)11-3/h4,9,12H,1,5-8H2,2-3H3,(H,11,13)
InChIKeyRAOXUUKKZOVCPI-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.07
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

3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 104581836
N'-hex-5-en-2-ylethane-1,2-diamine
CID 104655615
N,4-dimethylhex-5-enamide
CID 155715427
N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 104581510
3-(hex-5-en-2-ylamino)propanenitrile
CID 104655372
2-(hex-5-en-2-ylamino)propanamide
CID 104581628
N-cyclopropyl-2-(hex-5-en-2-ylamino)acetamide
CID 104655408
N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide
CID 115889935
N-methyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 62324218
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
2-[(hex-5-en-2-ylamino)methyl]-4-methylpentanoic acid
CID 122127883
3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
CID 114829658

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-en-2-ylamino)-N-methylpropanamide?
The IUPAC name of 3-(hex-5-en-2-ylamino)-N-methylpropanamide (CID 104581947) is 3-(hex-5-en-2-ylamino)-N-methylpropanamide.
What is the SMILES notation for 3-(hex-5-en-2-ylamino)-N-methylpropanamide?
The canonical SMILES for 3-(hex-5-en-2-ylamino)-N-methylpropanamide is C=CCCC(C)NCCC(=O)NC.
What is the InChIKey of 3-(hex-5-en-2-ylamino)-N-methylpropanamide?
The InChIKey is RAOXUUKKZOVCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-6-9(2)12-8-7-10(13)11-3/h4,9,12H,1,5-8H2,2-3H3,(H,11,13).
What are the key properties of 3-(hex-5-en-2-ylamino)-N-methylpropanamide?
3-(hex-5-en-2-ylamino)-N-methylpropanamide has a molecular weight of 184.28 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-en-2-ylamino)-N-methylpropanamide is sourced from PubChem (CID 104581947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).