1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine

C5H13N3 — CID 139317162

IUPAC1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine
SMILESC/N=C/C(NC)NC
InChIInChI=1S/C5H13N3/c1-6-4-5(7-2)8-3/h4-5,7-8H,1-3H3/b6-4+
InChIKeyKCWIXNPNVQBNGA-GQCTYLIASA-N
MW115.18 g/mol
LogP-0.55
Rot. Bonds3

About 1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine

1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine (PubChem CID 139317162) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine
PubChem CID139317162
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine
SMILESC/N=C/C(NC)NC
InChIInChI=1S/C5H13N3/c1-6-4-5(7-2)8-3/h4-5,7-8H,1-3H3/b6-4+
InChIKeyKCWIXNPNVQBNGA-GQCTYLIASA-N
XLogP-0.55
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine (CID 139317162) is 1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine is C/N=C/C(NC)NC.
What is the InChIKey of 1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine?
The InChIKey is KCWIXNPNVQBNGA-GQCTYLIASA-N. The full InChI is InChI=1S/C5H13N3/c1-6-4-5(7-2)8-3/h4-5,7-8H,1-3H3/b6-4+.
What are the key properties of 1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine?
1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine has a molecular weight of 115.18 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethyl-2-methyliminoethane-1,1-diamine is sourced from PubChem (CID 139317162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).