(1-amino-2-methylpropylidene)azanium;hydrogen carbonate

C5H12N2O3 — CID 87766019

IUPAC(1-amino-2-methylpropylidene)azanium;hydrogen carbonate
SMILESCC(C)C(N)=[NH2+].O=C([O-])O
InChIInChI=1S/C4H10N2.CH2O3/c1-3(2)4(5)6;2-1(3)4/h3H,1-2H3,(H3,5,6);(H2,2,3,4)
InChIKeyDXGJLJYWADPBFU-UHFFFAOYSA-N
MW148.16 g/mol
LogP-2.35
Rot. Bonds1

About (1-amino-2-methylpropylidene)azanium;hydrogen carbonate

(1-amino-2-methylpropylidene)azanium;hydrogen carbonate (PubChem CID 87766019) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is (1-amino-2-methylpropylidene)azanium;hydrogen carbonate.

Molecular Properties

Compound Name(1-amino-2-methylpropylidene)azanium;hydrogen carbonate
PubChem CID87766019
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name(1-amino-2-methylpropylidene)azanium;hydrogen carbonate
SMILESCC(C)C(N)=[NH2+].O=C([O-])O
InChIInChI=1S/C4H10N2.CH2O3/c1-3(2)4(5)6;2-1(3)4/h3H,1-2H3,(H3,5,6);(H2,2,3,4)
InChIKeyDXGJLJYWADPBFU-UHFFFAOYSA-N
XLogP-2.35
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-2.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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;hydrogen carbonate?
The IUPAC name of (1-amino-2-methylpropylidene)azanium;hydrogen carbonate (CID 87766019) is (1-amino-2-methylpropylidene)azanium;hydrogen carbonate.
What is the SMILES notation for (1-amino-2-methylpropylidene)azanium;hydrogen carbonate?
The canonical SMILES for (1-amino-2-methylpropylidene)azanium;hydrogen carbonate is CC(C)C(N)=[NH2+].O=C([O-])O.
What is the InChIKey of (1-amino-2-methylpropylidene)azanium;hydrogen carbonate?
The InChIKey is DXGJLJYWADPBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.CH2O3/c1-3(2)4(5)6;2-1(3)4/h3H,1-2H3,(H3,5,6);(H2,2,3,4).
What are the key properties of (1-amino-2-methylpropylidene)azanium;hydrogen carbonate?
(1-amino-2-methylpropylidene)azanium;hydrogen carbonate has a molecular weight of 148.16 g/mol, XLogP of -2.35, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropylidene)azanium;hydrogen carbonate is sourced from PubChem (CID 87766019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).