(3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine

C7H12N2 — CID 142252824

IUPAC(3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine
SMILESC=N/C=C\C=C/CCN
InChIInChI=1S/C7H12N2/c1-9-7-5-3-2-4-6-8/h2-3,5,7H,1,4,6,8H2/b3-2-,7-5-
InChIKeyHIYJKFCHPAFFQY-ZSBGFAJOSA-N
MW124.19 g/mol
LogP1.11
Rot. Bonds4

About (3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine

(3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine (PubChem CID 142252824) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine
PubChem CID142252824
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine
SMILESC=N/C=C\C=C/CCN
InChIInChI=1S/C7H12N2/c1-9-7-5-3-2-4-6-8/h2-3,5,7H,1,4,6,8H2/b3-2-,7-5-
InChIKeyHIYJKFCHPAFFQY-ZSBGFAJOSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.11
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 (3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine (CID 142252824) is (3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine is C=N/C=C\C=C/CCN.
What is the InChIKey of (3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine?
The InChIKey is HIYJKFCHPAFFQY-ZSBGFAJOSA-N. The full InChI is InChI=1S/C7H12N2/c1-9-7-5-3-2-4-6-8/h2-3,5,7H,1,4,6,8H2/b3-2-,7-5-.
What are the key properties of (3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine?
(3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-(methylideneamino)hexa-3,5-dien-1-amine is sourced from PubChem (CID 142252824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).