(Z)-3,4-diaminohex-3-enedinitrile

C6H8N4 — CID 55290904

IUPAC(Z)-3,4-diaminohex-3-enedinitrile
SMILESN#CC/C(N)=C(/N)CC#N
InChIInChI=1S/C6H8N4/c7-3-1-5(9)6(10)2-4-8/h1-2,9-10H2/b6-5-
InChIKeyFESWVEGEHKWPPE-WAYWQWQTSA-N
MW136.16 g/mol
LogP-0.06
Rot. Bonds2

About (Z)-3,4-diaminohex-3-enedinitrile

(Z)-3,4-diaminohex-3-enedinitrile (PubChem CID 55290904) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is (Z)-3,4-diaminohex-3-enedinitrile.

Molecular Properties

Compound Name(Z)-3,4-diaminohex-3-enedinitrile
PubChem CID55290904
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name(Z)-3,4-diaminohex-3-enedinitrile
SMILESN#CC/C(N)=C(/N)CC#N
InChIInChI=1S/C6H8N4/c7-3-1-5(9)6(10)2-4-8/h1-2,9-10H2/b6-5-
InChIKeyFESWVEGEHKWPPE-WAYWQWQTSA-N
XLogP-0.06
TPSA99.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 170328333
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2-cyanoacetamide;trifluoroborane
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2-(azanylidyne(113C)methyl)acetic acid
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(2-cyanoacetyl)oxidanium
CID 168791159
(3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide
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cyanophosphanium
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acetonitrile;guanidine
CID 158129797
ethyl 2-(azanylidyne(113C)methyl)acetate
CID 71316554
nitroso 2-cyanoacetate
CID 174813457

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-diaminohex-3-enedinitrile?
The IUPAC name of (Z)-3,4-diaminohex-3-enedinitrile (CID 55290904) is (Z)-3,4-diaminohex-3-enedinitrile.
What is the SMILES notation for (Z)-3,4-diaminohex-3-enedinitrile?
The canonical SMILES for (Z)-3,4-diaminohex-3-enedinitrile is N#CC/C(N)=C(/N)CC#N.
What is the InChIKey of (Z)-3,4-diaminohex-3-enedinitrile?
The InChIKey is FESWVEGEHKWPPE-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H8N4/c7-3-1-5(9)6(10)2-4-8/h1-2,9-10H2/b6-5-.
What are the key properties of (Z)-3,4-diaminohex-3-enedinitrile?
(Z)-3,4-diaminohex-3-enedinitrile has a molecular weight of 136.16 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-diaminohex-3-enedinitrile is sourced from PubChem (CID 55290904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).