(1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine

C6H12N2 — CID 126693687

IUPAC(1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine
SMILESC=C(/C=C\NC)NC
InChIInChI=1S/C6H12N2/c1-6(8-3)4-5-7-2/h4-5,7-8H,1H2,2-3H3/b5-4-
InChIKeyISHVYFHKCPIDIV-PLNGDYQASA-N
MW112.18 g/mol
LogP0.45
Rot. Bonds3

About (1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine

(1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine (PubChem CID 126693687) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine
PubChem CID126693687
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine
SMILESC=C(/C=C\NC)NC
InChIInChI=1S/C6H12N2/c1-6(8-3)4-5-7-2/h4-5,7-8H,1H2,2-3H3/b5-4-
InChIKeyISHVYFHKCPIDIV-PLNGDYQASA-N
XLogP0.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dihydro 4-dimethylamino pyridine
CID 424917
3-Amino-dihydropyridine
CID 5245632
Ethyl propylenamine
CID 11446289
3-Aminoazepine
CID 18755303
Allyl vinyl amine
CID 20794241
Ethyl(1-propenyl)amine
CID 53718914
Vinylazirine
CID 66904804
2,4-Diaminodihydropyridin
CID 129629608
N-propenylprop-2-en-1-amine
CID 129748605
(Z)-N-buta-1,3-dien-2-yl-N'-fluoro-N'-methylethene-1,2-diamine
CID 132093193
(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
CID 137466729
N-(1-fluoroethyl)buta-1,3-dien-2-amine
CID 138577129

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine (CID 126693687) is (1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine is C=C(/C=C\NC)NC.
What is the InChIKey of (1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine?
The InChIKey is ISHVYFHKCPIDIV-PLNGDYQASA-N. The full InChI is InChI=1S/C6H12N2/c1-6(8-3)4-5-7-2/h4-5,7-8H,1H2,2-3H3/b5-4-.
What are the key properties of (1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine?
(1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine is sourced from PubChem (CID 126693687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).