(3Z)-buta-1,3-diene-1,1,4-triamine;ethane

C6H15N3 — CID 144743431

IUPAC(3Z)-buta-1,3-diene-1,1,4-triamine;ethane
SMILESCC.N/C=C\C=C(N)N
InChIInChI=1S/C4H9N3.C2H6/c5-3-1-2-4(6)7;1-2/h1-3H,5-7H2;1-2H3/b3-1-;
InChIKeyRCDQMPVHLWMEHJ-SPNQZIMRSA-N
MW129.21 g/mol
LogP0.24
Rot. Bonds1

About (3Z)-buta-1,3-diene-1,1,4-triamine;ethane

(3Z)-buta-1,3-diene-1,1,4-triamine;ethane (PubChem CID 144743431) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is (3Z)-buta-1,3-diene-1,1,4-triamine;ethane.

Molecular Properties

Compound Name(3Z)-buta-1,3-diene-1,1,4-triamine;ethane
PubChem CID144743431
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name(3Z)-buta-1,3-diene-1,1,4-triamine;ethane
SMILESCC.N/C=C\C=C(N)N
InChIInChI=1S/C4H9N3.C2H6/c5-3-1-2-4(6)7;1-2/h1-3H,5-7H2;1-2H3/b3-1-;
InChIKeyRCDQMPVHLWMEHJ-SPNQZIMRSA-N
XLogP0.24
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 155693595
CID 155693595
(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
CID 89363639
(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine
CID 143275427
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
(2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol
CID 142883344
(3Z)-hexa-1,3-dien-5-yne-1,1-diamine
CID 165093546
(1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine
CID 146550324
(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine
CID 134355562
N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-4,4,4-trifluorobutanamide
CID 144928611
(3E,5Z,7Z)-5,8-diamino-3-[(methylideneamino)methylidene]octa-1,5,7-trien-4-one
CID 169189998
ethane;(1Z,3Z,6Z)-6-ethenylocta-1,3,6-trien-1-amine
CID 145186821
N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine
CID 163595878

Frequently Asked Questions

What is the IUPAC name of (3Z)-buta-1,3-diene-1,1,4-triamine;ethane?
The IUPAC name of (3Z)-buta-1,3-diene-1,1,4-triamine;ethane (CID 144743431) is (3Z)-buta-1,3-diene-1,1,4-triamine;ethane.
What is the SMILES notation for (3Z)-buta-1,3-diene-1,1,4-triamine;ethane?
The canonical SMILES for (3Z)-buta-1,3-diene-1,1,4-triamine;ethane is CC.N/C=C\C=C(N)N.
What is the InChIKey of (3Z)-buta-1,3-diene-1,1,4-triamine;ethane?
The InChIKey is RCDQMPVHLWMEHJ-SPNQZIMRSA-N. The full InChI is InChI=1S/C4H9N3.C2H6/c5-3-1-2-4(6)7;1-2/h1-3H,5-7H2;1-2H3/b3-1-;.
What are the key properties of (3Z)-buta-1,3-diene-1,1,4-triamine;ethane?
(3Z)-buta-1,3-diene-1,1,4-triamine;ethane has a molecular weight of 129.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-buta-1,3-diene-1,1,4-triamine;ethane is sourced from PubChem (CID 144743431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).