1-N,1-N'-dimethylpropane-1,1-diamine

C5H14N2 — CID 22287041

IUPAC1-N,1-N'-dimethylpropane-1,1-diamine
SMILESCCC(NC)NC
InChIInChI=1S/C5H14N2/c1-4-5(6-2)7-3/h5-7H,4H2,1-3H3
InChIKeyCYXGZZFAAUDHQL-UHFFFAOYSA-N
MW102.18 g/mol
LogP0.16
Rot. Bonds3

About 1-N,1-N'-dimethylpropane-1,1-diamine

1-N,1-N'-dimethylpropane-1,1-diamine (PubChem CID 22287041) has the molecular formula C5H14N2 and a molecular weight of 102.18 g/mol. Its IUPAC name is 1-N,1-N'-dimethylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethylpropane-1,1-diamine
PubChem CID22287041
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC Name1-N,1-N'-dimethylpropane-1,1-diamine
SMILESCCC(NC)NC
InChIInChI=1S/C5H14N2/c1-4-5(6-2)7-3/h5-7H,4H2,1-3H3
InChIKeyCYXGZZFAAUDHQL-UHFFFAOYSA-N
XLogP0.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethylpropane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethylpropane-1,1-diamine (CID 22287041) is 1-N,1-N'-dimethylpropane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethylpropane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethylpropane-1,1-diamine is CCC(NC)NC.
What is the InChIKey of 1-N,1-N'-dimethylpropane-1,1-diamine?
The InChIKey is CYXGZZFAAUDHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2/c1-4-5(6-2)7-3/h5-7H,4H2,1-3H3.
What are the key properties of 1-N,1-N'-dimethylpropane-1,1-diamine?
1-N,1-N'-dimethylpropane-1,1-diamine has a molecular weight of 102.18 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethylpropane-1,1-diamine is sourced from PubChem (CID 22287041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).