2-(hept-6-enylamino)propanamide

C10H20N2O — CID 107006582

IUPAC2-(hept-6-enylamino)propanamide
SMILESC=CCCCCCNC(C)C(N)=O
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-7-8-12-9(2)10(11)13/h3,9,12H,1,4-8H2,2H3,(H2,11,13)
InChIKeyKABVQKJYOCNZMM-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.20
Rot. Bonds8

About 2-(hept-6-enylamino)propanamide

2-(hept-6-enylamino)propanamide (PubChem CID 107006582) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(hept-6-enylamino)propanamide.

Molecular Properties

Compound Name2-(hept-6-enylamino)propanamide
PubChem CID107006582
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(hept-6-enylamino)propanamide
SMILESC=CCCCCCNC(C)C(N)=O
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-7-8-12-9(2)10(11)13/h3,9,12H,1,4-8H2,2H3,(H2,11,13)
InChIKeyKABVQKJYOCNZMM-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

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CID 95627711
(2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide
CID 11745942
2-[[(E)-oct-6-en-2-yl]amino]acetamide
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N-methyl-2-(propanoylamino)pent-4-enamide
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2-(Oct-6-en-2-ylamino)acetamide
CID 53710512
2-(Octadec-2-en-9-ylamino)acetamide
CID 53906528
2-acetamido-N-methylpent-4-enamide
CID 58637759
2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide
CID 58637781
2-acetamido-N-[(2R)-4-oxopentan-2-yl]pent-4-enamide
CID 58637803
2-[(4-Methylidenecyclohexyl)amino]acetamide
CID 58902781
(2S)-N-methyl-5-propyl-2,3,6,7-tetrahydro-1H-azepine-2-carboxamide
CID 58932186
(2S)-2-amino-4-methyl-N-prop-2-enylpent-4-enamide
CID 59280332

Frequently Asked Questions

What is the IUPAC name of 2-(hept-6-enylamino)propanamide?
The IUPAC name of 2-(hept-6-enylamino)propanamide (CID 107006582) is 2-(hept-6-enylamino)propanamide.
What is the SMILES notation for 2-(hept-6-enylamino)propanamide?
The canonical SMILES for 2-(hept-6-enylamino)propanamide is C=CCCCCCNC(C)C(N)=O.
What is the InChIKey of 2-(hept-6-enylamino)propanamide?
The InChIKey is KABVQKJYOCNZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-5-6-7-8-12-9(2)10(11)13/h3,9,12H,1,4-8H2,2H3,(H2,11,13).
What are the key properties of 2-(hept-6-enylamino)propanamide?
2-(hept-6-enylamino)propanamide has a molecular weight of 184.28 g/mol, XLogP of 1.20, 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)propanamide is sourced from PubChem (CID 107006582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).