3-(hept-6-enylamino)propanamide

C10H20N2O — CID 107006585

IUPAC3-(hept-6-enylamino)propanamide
SMILESC=CCCCCCNCCC(N)=O
InChIInChI=1S/C10H20N2O/c1-2-3-4-5-6-8-12-9-7-10(11)13/h2,12H,1,3-9H2,(H2,11,13)
InChIKeyKDVFBHSXJCSRJO-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.20
Rot. Bonds9

About 3-(hept-6-enylamino)propanamide

3-(hept-6-enylamino)propanamide (PubChem CID 107006585) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(hept-6-enylamino)propanamide.

Molecular Properties

Compound Name3-(hept-6-enylamino)propanamide
PubChem CID107006585
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(hept-6-enylamino)propanamide
SMILESC=CCCCCCNCCC(N)=O
InChIInChI=1S/C10H20N2O/c1-2-3-4-5-6-8-12-9-7-10(11)13/h2,12H,1,3-9H2,(H2,11,13)
InChIKeyKDVFBHSXJCSRJO-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonadec-18-enamide
CID 166991988
3-(5-hydroxypentylamino)propanamide
CID 62227149
N'-hept-6-enylethane-1,2-diamine
CID 107006766
3-(hept-6-enylamino)-N-propan-2-ylpropanamide
CID 107007090
N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide
CID 59864047
3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one
CID 107007094
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
5-(pent-4-enylamino)pentan-1-ol
CID 107317245
N-propylnon-8-en-1-amine
CID 107010151
bis(dodecanamide);hex-1-ene
CID 159337008
3-(hept-6-enylamino)-3-methylbutanamide
CID 107167055
2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide
CID 175210983

Frequently Asked Questions

What is the IUPAC name of 3-(hept-6-enylamino)propanamide?
The IUPAC name of 3-(hept-6-enylamino)propanamide (CID 107006585) is 3-(hept-6-enylamino)propanamide.
What is the SMILES notation for 3-(hept-6-enylamino)propanamide?
The canonical SMILES for 3-(hept-6-enylamino)propanamide is C=CCCCCCNCCC(N)=O.
What is the InChIKey of 3-(hept-6-enylamino)propanamide?
The InChIKey is KDVFBHSXJCSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-3-4-5-6-8-12-9-7-10(11)13/h2,12H,1,3-9H2,(H2,11,13).
What are the key properties of 3-(hept-6-enylamino)propanamide?
3-(hept-6-enylamino)propanamide has a molecular weight of 184.28 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hept-6-enylamino)propanamide is sourced from PubChem (CID 107006585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).