1-[acetyl(methyl)amino]propan-2-ylideneazanium

C6H13N2O+ — CID 20646806

IUPAC1-[acetyl(methyl)amino]propan-2-ylideneazanium
SMILESCC(=[NH2+])CN(C)C(C)=O
InChIInChI=1S/C6H12N2O/c1-5(7)4-8(3)6(2)9/h7H,4H2,1-3H3/p+1
InChIKeyCZPTZJPAEFVQEJ-UHFFFAOYSA-O
MW129.18 g/mol
LogP-1.32
Rot. Bonds2

About 1-[acetyl(methyl)amino]propan-2-ylideneazanium

1-[acetyl(methyl)amino]propan-2-ylideneazanium (PubChem CID 20646806) has the molecular formula C6H13N2O+ and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-[acetyl(methyl)amino]propan-2-ylideneazanium.

Molecular Properties

Compound Name1-[acetyl(methyl)amino]propan-2-ylideneazanium
PubChem CID20646806
Molecular FormulaC6H13N2O+
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name1-[acetyl(methyl)amino]propan-2-ylideneazanium
SMILESCC(=[NH2+])CN(C)C(C)=O
InChIInChI=1S/C6H12N2O/c1-5(7)4-8(3)6(2)9/h7H,4H2,1-3H3/p+1
InChIKeyCZPTZJPAEFVQEJ-UHFFFAOYSA-O
XLogP-1.32
TPSA45.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(methyl)amino]propan-2-ylideneazanium?
The IUPAC name of 1-[acetyl(methyl)amino]propan-2-ylideneazanium (CID 20646806) is 1-[acetyl(methyl)amino]propan-2-ylideneazanium.
What is the SMILES notation for 1-[acetyl(methyl)amino]propan-2-ylideneazanium?
The canonical SMILES for 1-[acetyl(methyl)amino]propan-2-ylideneazanium is CC(=[NH2+])CN(C)C(C)=O.
What is the InChIKey of 1-[acetyl(methyl)amino]propan-2-ylideneazanium?
The InChIKey is CZPTZJPAEFVQEJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2O/c1-5(7)4-8(3)6(2)9/h7H,4H2,1-3H3/p+1.
What are the key properties of 1-[acetyl(methyl)amino]propan-2-ylideneazanium?
1-[acetyl(methyl)amino]propan-2-ylideneazanium has a molecular weight of 129.18 g/mol, XLogP of -1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(methyl)amino]propan-2-ylideneazanium is sourced from PubChem (CID 20646806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).