2-(hex-5-en-2-ylamino)propanamide

C9H18N2O — CID 104581628

IUPAC2-(hex-5-en-2-ylamino)propanamide
SMILESC=CCCC(C)NC(C)C(N)=O
InChIInChI=1S/C9H18N2O/c1-4-5-6-7(2)11-8(3)9(10)12/h4,7-8,11H,1,5-6H2,2-3H3,(H2,10,12)
InChIKeyMXKRETXYUXZDOO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.80
Rot. Bonds6

About 2-(hex-5-en-2-ylamino)propanamide

2-(hex-5-en-2-ylamino)propanamide (PubChem CID 104581628) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(hex-5-en-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(hex-5-en-2-ylamino)propanamide
PubChem CID104581628
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(hex-5-en-2-ylamino)propanamide
SMILESC=CCCC(C)NC(C)C(N)=O
InChIInChI=1S/C9H18N2O/c1-4-5-6-7(2)11-8(3)9(10)12/h4,7-8,11H,1,5-6H2,2-3H3,(H2,10,12)
InChIKeyMXKRETXYUXZDOO-UHFFFAOYSA-N
XLogP0.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.80
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-(hex-5-en-2-ylamino)-3-methoxypropanamide
CID 104584141
(2S)-2-(hex-5-en-2-ylamino)propanoic acid;2,2,2-trifluoroacetic acid
CID 121457049
methyl 2-(hex-5-en-2-ylamino)-3-methylpentanoate
CID 104655556
(2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 99628944
4-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582956
3-(hept-6-en-3-ylamino)butanamide
CID 115867780
N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine
CID 104582576
3-(hex-5-en-2-ylamino)-N-methylpropanamide
CID 104581947
3-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582668
prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
CID 22826694
3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 104582088
3-(1-cyclopropylpent-4-enylamino)butanamide
CID 115867757

Frequently Asked Questions

What is the IUPAC name of 2-(hex-5-en-2-ylamino)propanamide?
The IUPAC name of 2-(hex-5-en-2-ylamino)propanamide (CID 104581628) is 2-(hex-5-en-2-ylamino)propanamide.
What is the SMILES notation for 2-(hex-5-en-2-ylamino)propanamide?
The canonical SMILES for 2-(hex-5-en-2-ylamino)propanamide is C=CCCC(C)NC(C)C(N)=O.
What is the InChIKey of 2-(hex-5-en-2-ylamino)propanamide?
The InChIKey is MXKRETXYUXZDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-6-7(2)11-8(3)9(10)12/h4,7-8,11H,1,5-6H2,2-3H3,(H2,10,12).
What are the key properties of 2-(hex-5-en-2-ylamino)propanamide?
2-(hex-5-en-2-ylamino)propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-5-en-2-ylamino)propanamide is sourced from PubChem (CID 104581628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).