(4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine

C8H14N2 — CID 138703351

IUPAC(4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine
SMILESC=N/C=C\C=C/CCCN
InChIInChI=1S/C8H14N2/c1-10-8-6-4-2-3-5-7-9/h2,4,6,8H,1,3,5,7,9H2/b4-2-,8-6-
InChIKeyQTFNPNSYXCBNHE-ZCWSXEOGSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds5

About (4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine

(4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine (PubChem CID 138703351) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine
PubChem CID138703351
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine
SMILESC=N/C=C\C=C/CCCN
InChIInChI=1S/C8H14N2/c1-10-8-6-4-2-3-5-7-9/h2,4,6,8H,1,3,5,7,9H2/b4-2-,8-6-
InChIKeyQTFNPNSYXCBNHE-ZCWSXEOGSA-N
XLogP1.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine
CID 142252824
N-hexa-1,3-dienylmethanimine
CID 123963868
(E)-pent-1-ene-1,5-diamine
CID 87610087
octadeca-10,12,14-trien-1-amine
CID 91215405
tetradec-7-ene-1,14-diamine
CID 91430908
7-aminohept-3-enylazanium
CID 163603565
(2E,4E)-7-aminohepta-2,4-dien-1-ol
CID 102305339
hexadec-4-en-1-amine
CID 123939288
(5E)-deca-5,9-dien-1-amine
CID 144887868
(10Z)-docosa-10,21-dien-1-amine
CID 153323384
(4Z)-7-methyl-6-methylideneocta-4,7-dien-1-amine
CID 145082937
(4E,6E)-1,10-dichlorodeca-4,6-diene
CID 11310278

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine?
The IUPAC name of (4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine (CID 138703351) is (4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine.
What is the SMILES notation for (4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine?
The canonical SMILES for (4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine is C=N/C=C\C=C/CCCN.
What is the InChIKey of (4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine?
The InChIKey is QTFNPNSYXCBNHE-ZCWSXEOGSA-N. The full InChI is InChI=1S/C8H14N2/c1-10-8-6-4-2-3-5-7-9/h2,4,6,8H,1,3,5,7,9H2/b4-2-,8-6-.
What are the key properties of (4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine?
(4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-7-(methylideneamino)hepta-4,6-dien-1-amine is sourced from PubChem (CID 138703351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).