1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine

C6H15N3 — CID 139419572

IUPAC1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine
SMILESC/N=C/CC(NC)NC
InChIInChI=1S/C6H15N3/c1-7-5-4-6(8-2)9-3/h5-6,8-9H,4H2,1-3H3/b7-5+
InChIKeyCETZZUWSTDBESZ-FNORWQNLSA-N
MW129.21 g/mol
LogP-0.16
Rot. Bonds4

About 1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine

1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine (PubChem CID 139419572) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine
PubChem CID139419572
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine
SMILESC/N=C/CC(NC)NC
InChIInChI=1S/C6H15N3/c1-7-5-4-6(8-2)9-3/h5-6,8-9H,4H2,1-3H3/b7-5+
InChIKeyCETZZUWSTDBESZ-FNORWQNLSA-N
XLogP-0.16
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-0.16
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-3-methyliminopropane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine (CID 139419572) is 1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine is C/N=C/CC(NC)NC.
What is the InChIKey of 1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine?
The InChIKey is CETZZUWSTDBESZ-FNORWQNLSA-N. The full InChI is InChI=1S/C6H15N3/c1-7-5-4-6(8-2)9-3/h5-6,8-9H,4H2,1-3H3/b7-5+.
What are the key properties of 1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine?
1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine has a molecular weight of 129.21 g/mol, XLogP of -0.16, 4 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-3-methyliminopropane-1,1-diamine is sourced from PubChem (CID 139419572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).