(3Z)-octa-1,3-diene-2,5-diamine

C8H16N2 — CID 166682771

IUPAC(3Z)-octa-1,3-diene-2,5-diamine
SMILESC=C(N)/C=C\C(N)CCC
InChIInChI=1S/C8H16N2/c1-3-4-8(10)6-5-7(2)9/h5-6,8H,2-4,9-10H2,1H3/b6-5-
InChIKeySVUZGDGCVAIDKM-WAYWQWQTSA-N
MW140.23 g/mol
LogP1.14
Rot. Bonds4

About (3Z)-octa-1,3-diene-2,5-diamine

(3Z)-octa-1,3-diene-2,5-diamine (PubChem CID 166682771) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (3Z)-octa-1,3-diene-2,5-diamine.

Molecular Properties

Compound Name(3Z)-octa-1,3-diene-2,5-diamine
PubChem CID166682771
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(3Z)-octa-1,3-diene-2,5-diamine
SMILESC=C(N)/C=C\C(N)CCC
InChIInChI=1S/C8H16N2/c1-3-4-8(10)6-5-7(2)9/h5-6,8H,2-4,9-10H2,1H3/b6-5-
InChIKeySVUZGDGCVAIDKM-WAYWQWQTSA-N
XLogP1.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.14
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

(E)-4-aminohept-2-enoic acid
CID 116940801
(Z,4R)-hept-2-en-4-amine
CID 89073928
(3Z)-5-aminohepta-1,3-dien-2-ol
CID 147712752
4-methylidene-5-propyloct-2-ene
CID 90714762
butane-1,1-diamine;copper
CID 158312531
butane-1,1-diamine;platinum
CID 88509821
octa-1,3-diene-2,5-diol
CID 141007502
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
(2S)-2-aminopentanal;ethane;molecular hydrogen
CID 177242224
3-methylidene-6-propylnonan-5-amine
CID 105006117
(Z)-2-methyl-5-methylideneoct-3-ene
CID 143255945
(4R,5R)-octane-4,5-diamine
CID 13138963

Frequently Asked Questions

What is the IUPAC name of (3Z)-octa-1,3-diene-2,5-diamine?
The IUPAC name of (3Z)-octa-1,3-diene-2,5-diamine (CID 166682771) is (3Z)-octa-1,3-diene-2,5-diamine.
What is the SMILES notation for (3Z)-octa-1,3-diene-2,5-diamine?
The canonical SMILES for (3Z)-octa-1,3-diene-2,5-diamine is C=C(N)/C=C\C(N)CCC.
What is the InChIKey of (3Z)-octa-1,3-diene-2,5-diamine?
The InChIKey is SVUZGDGCVAIDKM-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-8(10)6-5-7(2)9/h5-6,8H,2-4,9-10H2,1H3/b6-5-.
What are the key properties of (3Z)-octa-1,3-diene-2,5-diamine?
(3Z)-octa-1,3-diene-2,5-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-octa-1,3-diene-2,5-diamine is sourced from PubChem (CID 166682771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).