(2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine

C9H14N2 — CID 144645278

IUPAC(2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine
SMILESC=CC(=C)/C(N)=C\C=C(\C)N
InChIInChI=1S/C9H14N2/c1-4-7(2)9(11)6-5-8(3)10/h4-6H,1-2,10-11H2,3H3/b8-5-,9-6-
InChIKeyNMGIHEKHDAQMOE-VVRUXRSYSA-N
MW150.22 g/mol
LogP1.43
Rot. Bonds3

About (2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine

(2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine (PubChem CID 144645278) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine.

Molecular Properties

Compound Name(2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine
PubChem CID144645278
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine
SMILESC=CC(=C)/C(N)=C\C=C(\C)N
InChIInChI=1S/C9H14N2/c1-4-7(2)9(11)6-5-8(3)10/h4-6H,1-2,10-11H2,3H3/b8-5-,9-6-
InChIKeyNMGIHEKHDAQMOE-VVRUXRSYSA-N
XLogP1.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.43
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

(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine
CID 155051577
(3E)-2-bromo-5-methylidenehepta-1,3,6-trien-4-amine
CID 155582876
(3E)-2,6-dimethylhepta-1,3,5-trien-3-amine
CID 137466995
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
(3E)-3-amino-6-methylhepta-1,3,5-trien-2-ol
CID 170407811
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-2-amine
CID 89033689
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
(3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine
CID 144989388
3-methylpenta-2,4-dien-2-amine
CID 141358440
(Z)-but-2-en-2-amine;ethane;ethenamine
CID 143379680

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine?
The IUPAC name of (2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine (CID 144645278) is (2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine.
What is the SMILES notation for (2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine?
The canonical SMILES for (2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine is C=CC(=C)/C(N)=C\C=C(\C)N.
What is the InChIKey of (2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine?
The InChIKey is NMGIHEKHDAQMOE-VVRUXRSYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-7(2)9(11)6-5-8(3)10/h4-6H,1-2,10-11H2,3H3/b8-5-,9-6-.
What are the key properties of (2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine?
(2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine is sourced from PubChem (CID 144645278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).