(1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine

C8H12N2 — CID 131966537

IUPAC(1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine
SMILESC=NC(/C=C\C)=C\C=C/N
InChIInChI=1S/C8H12N2/c1-3-5-8(10-2)6-4-7-9/h3-7H,2,9H2,1H3/b5-3-,7-4-,8-6-
InChIKeyMGJHSDIGIVQMLU-CNNSZPCDSA-N
MW136.20 g/mol
LogP1.62
Rot. Bonds3

About (1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine

(1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine (PubChem CID 131966537) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine
PubChem CID131966537
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine
SMILESC=NC(/C=C\C)=C\C=C/N
InChIInChI=1S/C8H12N2/c1-3-5-8(10-2)6-4-7-9/h3-7H,2,9H2,1H3/b5-3-,7-4-,8-6-
InChIKeyMGJHSDIGIVQMLU-CNNSZPCDSA-N
XLogP1.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine (CID 131966537) is (1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine is C=NC(/C=C\C)=C\C=C/N.
What is the InChIKey of (1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine?
The InChIKey is MGJHSDIGIVQMLU-CNNSZPCDSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-8(10-2)6-4-7-9/h3-7H,2,9H2,1H3/b5-3-,7-4-,8-6-.
What are the key properties of (1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine?
(1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine has a molecular weight of 136.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine is sourced from PubChem (CID 131966537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).