2-(hept-6-enylamino)acetamide

C9H18N2O — CID 12878203

IUPAC2-(hept-6-enylamino)acetamide
SMILESC=CCCCCCNCC(N)=O
InChIInChI=1S/C9H18N2O/c1-2-3-4-5-6-7-11-8-9(10)12/h2,11H,1,3-8H2,(H2,10,12)
InChIKeyQCTGGCRVNPTUDJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.81
Rot. Bonds8

About 2-(hept-6-enylamino)acetamide

2-(hept-6-enylamino)acetamide (PubChem CID 12878203) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(hept-6-enylamino)acetamide.

Molecular Properties

Compound Name2-(hept-6-enylamino)acetamide
PubChem CID12878203
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(hept-6-enylamino)acetamide
SMILESC=CCCCCCNCC(N)=O
InChIInChI=1S/C9H18N2O/c1-2-3-4-5-6-7-11-8-9(10)12/h2,11H,1,3-8H2,(H2,10,12)
InChIKeyQCTGGCRVNPTUDJ-UHFFFAOYSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.81
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

2-[[(E)-oct-6-en-2-yl]amino]acetamide
CID 20221138
2-(Oct-6-en-2-ylamino)acetamide
CID 53710512
2-(Octadec-9-enylamino)acetamide
CID 54139059
2-[(4-Methylidenecyclohexyl)amino]acetamide
CID 58902781
2-(Hex-5-enoylamino)ethylazanium
CID 59441271
N-(2-aminoethyl)hex-5-enamide
CID 59441272
2-(Octadec-1-en-9-ylamino)acetamide
CID 88129829
2-(Oct-7-en-2-ylamino)acetamide
CID 88130378
2-[[(Z)-octadec-9-enyl]amino]acetamide
CID 88752727
(2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide
CID 121451409
2-(Methylamino)hept-6-enamide
CID 123233722
N'-hept-5-enyl-N-methyloxamide
CID 123966835

Frequently Asked Questions

What is the IUPAC name of 2-(hept-6-enylamino)acetamide?
The IUPAC name of 2-(hept-6-enylamino)acetamide (CID 12878203) is 2-(hept-6-enylamino)acetamide.
What is the SMILES notation for 2-(hept-6-enylamino)acetamide?
The canonical SMILES for 2-(hept-6-enylamino)acetamide is C=CCCCCCNCC(N)=O.
What is the InChIKey of 2-(hept-6-enylamino)acetamide?
The InChIKey is QCTGGCRVNPTUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-4-5-6-7-11-8-9(10)12/h2,11H,1,3-8H2,(H2,10,12).
What are the key properties of 2-(hept-6-enylamino)acetamide?
2-(hept-6-enylamino)acetamide has a molecular weight of 170.26 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hept-6-enylamino)acetamide is sourced from PubChem (CID 12878203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).