(3Z)-hexa-1,3-dien-5-yne-1,1-diamine

C6H8N2 — CID 165093546

IUPAC(3Z)-hexa-1,3-dien-5-yne-1,1-diamine
SMILESC#C/C=C\C=C(N)N
InChIInChI=1S/C6H8N2/c1-2-3-4-5-6(7)8/h1,3-5H,7-8H2/b4-3-
InChIKeyXCRKXDGQJNEAGS-ARJAWSKDSA-N
MW108.14 g/mol
LogP-0.07
Rot. Bonds1

About (3Z)-hexa-1,3-dien-5-yne-1,1-diamine

(3Z)-hexa-1,3-dien-5-yne-1,1-diamine (PubChem CID 165093546) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (3Z)-hexa-1,3-dien-5-yne-1,1-diamine.

Molecular Properties

Compound Name(3Z)-hexa-1,3-dien-5-yne-1,1-diamine
PubChem CID165093546
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(3Z)-hexa-1,3-dien-5-yne-1,1-diamine
SMILESC#C/C=C\C=C(N)N
InChIInChI=1S/C6H8N2/c1-2-3-4-5-6(7)8/h1,3-5H,7-8H2/b4-3-
InChIKeyXCRKXDGQJNEAGS-ARJAWSKDSA-N
XLogP-0.07
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4E)-2-methylhepta-2,4-dien-6-ynoate
CID 11816044
(3Z)-buta-1,3-diene-1,1,4-triamine;ethane
CID 144743431
(5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid
CID 178033839
(Z)-2-methylhex-3-en-5-yn-2-ol
CID 10701797
(3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne
CID 89392703
[amino-[(E)-pent-2-en-4-ynyl]sulfanylmethylidene]azanium
CID 101070730
(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine
CID 145347359
ethane;5-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1,2-oxazol-3-one
CID 142473164
ethane;(2E,4Z)-2-methyl-1-(2-methylphenyl)hepta-2,4-dien-6-yn-1-one
CID 143025383
N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine
CID 163595878
(3Z,5E)-nona-3,5-dien-1-yne
CID 100974514
1-[(2Z,4Z)-2-aminohepta-2,4-dien-6-ynylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine
CID 163473479

Frequently Asked Questions

What is the IUPAC name of (3Z)-hexa-1,3-dien-5-yne-1,1-diamine?
The IUPAC name of (3Z)-hexa-1,3-dien-5-yne-1,1-diamine (CID 165093546) is (3Z)-hexa-1,3-dien-5-yne-1,1-diamine.
What is the SMILES notation for (3Z)-hexa-1,3-dien-5-yne-1,1-diamine?
The canonical SMILES for (3Z)-hexa-1,3-dien-5-yne-1,1-diamine is C#C/C=C\C=C(N)N.
What is the InChIKey of (3Z)-hexa-1,3-dien-5-yne-1,1-diamine?
The InChIKey is XCRKXDGQJNEAGS-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-3-4-5-6(7)8/h1,3-5H,7-8H2/b4-3-.
What are the key properties of (3Z)-hexa-1,3-dien-5-yne-1,1-diamine?
(3Z)-hexa-1,3-dien-5-yne-1,1-diamine has a molecular weight of 108.14 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-hexa-1,3-dien-5-yne-1,1-diamine is sourced from PubChem (CID 165093546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).