N,N'-dimethylethane-1,2-diamine

C4H12N2 — CID 8070

IUPACN,N'-dimethylethane-1,2-diamine
SMILESCNCCNC
InChIInChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3
InChIKeyKVKFRMCSXWQSNT-UHFFFAOYSA-N
MW88.15 g/mol
LogP-0.57
Rot. Bonds3

About N,N'-dimethylethane-1,2-diamine

N,N'-dimethylethane-1,2-diamine (PubChem CID 8070) has the molecular formula C4H12N2 and a molecular weight of 88.15 g/mol. Its IUPAC name is N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethylethane-1,2-diamine
PubChem CID8070
Molecular FormulaC4H12N2
Molecular Weight88.15 g/mol
Exact Mass88.10
IUPAC NameN,N'-dimethylethane-1,2-diamine
SMILESCNCCNC
InChIInChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3
InChIKeyKVKFRMCSXWQSNT-UHFFFAOYSA-N
XLogP-0.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-dimethylethane-1,2-diamine (CID 8070) is N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethylethane-1,2-diamine is CNCCNC.
What is the InChIKey of N,N'-dimethylethane-1,2-diamine?
The InChIKey is KVKFRMCSXWQSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N'-dimethylethane-1,2-diamine?
N,N'-dimethylethane-1,2-diamine has a molecular weight of 88.15 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 8070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).