(1-amino-2-methylpropylidene)azanium

C4H11N2+ — CID 6346755

IUPAC(1-amino-2-methylpropylidene)azanium
SMILESCC(C)C(N)=[NH2+]
InChIInChI=1S/C4H10N2/c1-3(2)4(5)6/h3H,1-2H3,(H3,5,6)/p+1
InChIKeyNDAJNMAAXXIADY-UHFFFAOYSA-O
MW87.15 g/mol
LogP-1.24
Rot. Bonds1

About (1-amino-2-methylpropylidene)azanium

(1-amino-2-methylpropylidene)azanium (PubChem CID 6346755) has the molecular formula C4H11N2+ and a molecular weight of 87.15 g/mol. Its IUPAC name is (1-amino-2-methylpropylidene)azanium.

Molecular Properties

Compound Name(1-amino-2-methylpropylidene)azanium
PubChem CID6346755
Molecular FormulaC4H11N2+
Molecular Weight87.15 g/mol
Exact Mass87.09
IUPAC Name(1-amino-2-methylpropylidene)azanium
SMILESCC(C)C(N)=[NH2+]
InChIInChI=1S/C4H10N2/c1-3(2)4(5)6/h3H,1-2H3,(H3,5,6)/p+1
InChIKeyNDAJNMAAXXIADY-UHFFFAOYSA-O
XLogP-1.24
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.15
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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 (1-amino-2-methylpropylidene)azanium?
The IUPAC name of (1-amino-2-methylpropylidene)azanium (CID 6346755) is (1-amino-2-methylpropylidene)azanium.
What is the SMILES notation for (1-amino-2-methylpropylidene)azanium?
The canonical SMILES for (1-amino-2-methylpropylidene)azanium is CC(C)C(N)=[NH2+].
What is the InChIKey of (1-amino-2-methylpropylidene)azanium?
The InChIKey is NDAJNMAAXXIADY-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2/c1-3(2)4(5)6/h3H,1-2H3,(H3,5,6)/p+1.
What are the key properties of (1-amino-2-methylpropylidene)azanium?
(1-amino-2-methylpropylidene)azanium has a molecular weight of 87.15 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropylidene)azanium is sourced from PubChem (CID 6346755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).