(dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium

C6H14N3+ — CID 173297271

IUPAC(dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium
SMILESC=NC=[N+](C)CN(C)C
InChIInChI=1S/C6H14N3/c1-7-5-9(4)6-8(2)3/h5H,1,6H2,2-4H3/q+1
InChIKeyFFALSUOZPDBPFH-UHFFFAOYSA-N
MW128.20 g/mol
LogP-0.12
Rot. Bonds3

About (dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium

(dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium (PubChem CID 173297271) has the molecular formula C6H14N3+ and a molecular weight of 128.20 g/mol. Its IUPAC name is (dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium.

Molecular Properties

Compound Name(dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium
PubChem CID173297271
Molecular FormulaC6H14N3+
Molecular Weight128.20 g/mol
Exact Mass128.12
IUPAC Name(dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium
SMILESC=NC=[N+](C)CN(C)C
InChIInChI=1S/C6H14N3/c1-7-5-9(4)6-8(2)3/h5H,1,6H2,2-4H3/q+1
InChIKeyFFALSUOZPDBPFH-UHFFFAOYSA-N
XLogP-0.12
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 5-0.12
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium?
The IUPAC name of (dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium (CID 173297271) is (dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium.
What is the SMILES notation for (dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium?
The canonical SMILES for (dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium is C=NC=[N+](C)CN(C)C.
What is the InChIKey of (dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium?
The InChIKey is FFALSUOZPDBPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N3/c1-7-5-9(4)6-8(2)3/h5H,1,6H2,2-4H3/q+1.
What are the key properties of (dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium?
(dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium has a molecular weight of 128.20 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl-methyl-[(methylideneamino)methylidene]azanium is sourced from PubChem (CID 173297271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).