1-N,1-N'-dimethylbutane-1,1-diamine

C6H16N2 — CID 19930995

IUPAC1-N,1-N'-dimethylbutane-1,1-diamine
SMILESCCCC(NC)NC
InChIInChI=1S/C6H16N2/c1-4-5-6(7-2)8-3/h6-8H,4-5H2,1-3H3
InChIKeyJOVPWMDTOGQRIZ-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.55
Rot. Bonds4

About 1-N,1-N'-dimethylbutane-1,1-diamine

1-N,1-N'-dimethylbutane-1,1-diamine (PubChem CID 19930995) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 1-N,1-N'-dimethylbutane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethylbutane-1,1-diamine
PubChem CID19930995
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name1-N,1-N'-dimethylbutane-1,1-diamine
SMILESCCCC(NC)NC
InChIInChI=1S/C6H16N2/c1-4-5-6(7-2)8-3/h6-8H,4-5H2,1-3H3
InChIKeyJOVPWMDTOGQRIZ-UHFFFAOYSA-N
XLogP0.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.55
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'-dimethylbutane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethylbutane-1,1-diamine (CID 19930995) is 1-N,1-N'-dimethylbutane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethylbutane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethylbutane-1,1-diamine is CCCC(NC)NC.
What is the InChIKey of 1-N,1-N'-dimethylbutane-1,1-diamine?
The InChIKey is JOVPWMDTOGQRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-4-5-6(7-2)8-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-N,1-N'-dimethylbutane-1,1-diamine?
1-N,1-N'-dimethylbutane-1,1-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethylbutane-1,1-diamine is sourced from PubChem (CID 19930995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).