3-amino-2-methylidenehexanamide

C7H14N2O — CID 87306693

IUPAC3-amino-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(N)CCC
InChIInChI=1S/C7H14N2O/c1-3-4-6(8)5(2)7(9)10/h6H,2-4,8H2,1H3,(H2,9,10)
InChIKeyUQISGLYOJHGNMG-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.16
Rot. Bonds4

About 3-amino-2-methylidenehexanamide

3-amino-2-methylidenehexanamide (PubChem CID 87306693) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-amino-2-methylidenehexanamide.

Molecular Properties

Compound Name3-amino-2-methylidenehexanamide
PubChem CID87306693
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-amino-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(N)CCC
InChIInChI=1S/C7H14N2O/c1-3-4-6(8)5(2)7(9)10/h6H,2-4,8H2,1H3,(H2,9,10)
InChIKeyUQISGLYOJHGNMG-UHFFFAOYSA-N
XLogP0.16
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylidenehexanamide?
The IUPAC name of 3-amino-2-methylidenehexanamide (CID 87306693) is 3-amino-2-methylidenehexanamide.
What is the SMILES notation for 3-amino-2-methylidenehexanamide?
The canonical SMILES for 3-amino-2-methylidenehexanamide is C=C(C(N)=O)C(N)CCC.
What is the InChIKey of 3-amino-2-methylidenehexanamide?
The InChIKey is UQISGLYOJHGNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-4-6(8)5(2)7(9)10/h6H,2-4,8H2,1H3,(H2,9,10).
What are the key properties of 3-amino-2-methylidenehexanamide?
3-amino-2-methylidenehexanamide has a molecular weight of 142.20 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylidenehexanamide is sourced from PubChem (CID 87306693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).