N-(1-aminopropylidene)-2-methylpropanamide;ethane

C9H20N2O — CID 167447070

IUPACN-(1-aminopropylidene)-2-methylpropanamide;ethane
SMILESCC.CC/C(N)=N\C(=O)C(C)C
InChIInChI=1S/C7H14N2O.C2H6/c1-4-6(8)9-7(10)5(2)3;1-2/h5H,4H2,1-3H3,(H2,8,9,10);1-2H3
InChIKeyRKLNQVFJNUQIQZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds2

About N-(1-aminopropylidene)-2-methylpropanamide;ethane

N-(1-aminopropylidene)-2-methylpropanamide;ethane (PubChem CID 167447070) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(1-aminopropylidene)-2-methylpropanamide;ethane.

Molecular Properties

Compound NameN-(1-aminopropylidene)-2-methylpropanamide;ethane
PubChem CID167447070
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(1-aminopropylidene)-2-methylpropanamide;ethane
SMILESCC.CC/C(N)=N\C(=O)C(C)C
InChIInChI=1S/C7H14N2O.C2H6/c1-4-6(8)9-7(10)5(2)3;1-2/h5H,4H2,1-3H3,(H2,8,9,10);1-2H3
InChIKeyRKLNQVFJNUQIQZ-UHFFFAOYSA-N
XLogP1.96
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
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-aminopropylidene)-2-methylpropanamide;ethane?
The IUPAC name of N-(1-aminopropylidene)-2-methylpropanamide;ethane (CID 167447070) is N-(1-aminopropylidene)-2-methylpropanamide;ethane.
What is the SMILES notation for N-(1-aminopropylidene)-2-methylpropanamide;ethane?
The canonical SMILES for N-(1-aminopropylidene)-2-methylpropanamide;ethane is CC.CC/C(N)=N\C(=O)C(C)C.
What is the InChIKey of N-(1-aminopropylidene)-2-methylpropanamide;ethane?
The InChIKey is RKLNQVFJNUQIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-4-6(8)9-7(10)5(2)3;1-2/h5H,4H2,1-3H3,(H2,8,9,10);1-2H3.
What are the key properties of N-(1-aminopropylidene)-2-methylpropanamide;ethane?
N-(1-aminopropylidene)-2-methylpropanamide;ethane has a molecular weight of 172.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropylidene)-2-methylpropanamide;ethane is sourced from PubChem (CID 167447070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).