N-(1-amino-2-methylpropylidene)propanamide

C7H14N2O — CID 161246566

IUPACN-(1-amino-2-methylpropylidene)propanamide
SMILESCCC(=O)/N=C(/N)C(C)C
InChIInChI=1S/C7H14N2O/c1-4-6(10)9-7(8)5(2)3/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyRHPYRIKAGQDVJW-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds2

About N-(1-amino-2-methylpropylidene)propanamide

N-(1-amino-2-methylpropylidene)propanamide (PubChem CID 161246566) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(1-amino-2-methylpropylidene)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropylidene)propanamide
PubChem CID161246566
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(1-amino-2-methylpropylidene)propanamide
SMILESCCC(=O)/N=C(/N)C(C)C
InChIInChI=1S/C7H14N2O/c1-4-6(10)9-7(8)5(2)3/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyRHPYRIKAGQDVJW-UHFFFAOYSA-N
XLogP0.94
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropylidene)propanamide?
The IUPAC name of N-(1-amino-2-methylpropylidene)propanamide (CID 161246566) is N-(1-amino-2-methylpropylidene)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropylidene)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropylidene)propanamide is CCC(=O)/N=C(/N)C(C)C.
What is the InChIKey of N-(1-amino-2-methylpropylidene)propanamide?
The InChIKey is RHPYRIKAGQDVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-6(10)9-7(8)5(2)3/h5H,4H2,1-3H3,(H2,8,9,10).
What are the key properties of N-(1-amino-2-methylpropylidene)propanamide?
N-(1-amino-2-methylpropylidene)propanamide has a molecular weight of 142.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropylidene)propanamide is sourced from PubChem (CID 161246566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).