(dimethylamino)methyl-methyl-methylideneazanium

C5H13N2+ — CID 91447018

IUPAC(dimethylamino)methyl-methyl-methylideneazanium
SMILESC=[N+](C)CN(C)C
InChIInChI=1S/C5H13N2/c1-6(2)5-7(3)4/h1,5H2,2-4H3/q+1
InChIKeyVREPNKONEJNCGL-UHFFFAOYSA-N
MW101.17 g/mol
LogP-0.15
Rot. Bonds2

About (dimethylamino)methyl-methyl-methylideneazanium

(dimethylamino)methyl-methyl-methylideneazanium (PubChem CID 91447018) has the molecular formula C5H13N2+ and a molecular weight of 101.17 g/mol. Its IUPAC name is (dimethylamino)methyl-methyl-methylideneazanium.

Molecular Properties

Compound Name(dimethylamino)methyl-methyl-methylideneazanium
PubChem CID91447018
Molecular FormulaC5H13N2+
Molecular Weight101.17 g/mol
Exact Mass101.11
IUPAC Name(dimethylamino)methyl-methyl-methylideneazanium
SMILESC=[N+](C)CN(C)C
InChIInChI=1S/C5H13N2/c1-6(2)5-7(3)4/h1,5H2,2-4H3/q+1
InChIKeyVREPNKONEJNCGL-UHFFFAOYSA-N
XLogP-0.15
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium
CID 22887597
1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine
CID 54513700
N,N-dimethyl-1-(methylideneamino)methanamine
CID 56993264
(E)-(dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium
CID 88276916
N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide
CID 170941011
(Dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium
CID 173297271
N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide
CID 174196120

Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl-methyl-methylideneazanium?
The IUPAC name of (dimethylamino)methyl-methyl-methylideneazanium (CID 91447018) is (dimethylamino)methyl-methyl-methylideneazanium.
What is the SMILES notation for (dimethylamino)methyl-methyl-methylideneazanium?
The canonical SMILES for (dimethylamino)methyl-methyl-methylideneazanium is C=[N+](C)CN(C)C.
What is the InChIKey of (dimethylamino)methyl-methyl-methylideneazanium?
The InChIKey is VREPNKONEJNCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N2/c1-6(2)5-7(3)4/h1,5H2,2-4H3/q+1.
What are the key properties of (dimethylamino)methyl-methyl-methylideneazanium?
(dimethylamino)methyl-methyl-methylideneazanium has a molecular weight of 101.17 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl-methyl-methylideneazanium is sourced from PubChem (CID 91447018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).