(3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine

C8H12N2 — CID 142847028

IUPAC(3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine
SMILESC=N/C(=C\C(=C)N)C(=C)C
InChIInChI=1S/C8H12N2/c1-6(2)8(10-4)5-7(3)9/h5H,1,3-4,9H2,2H3/b8-5-
InChIKeyDZSBZSILFWPBQR-YVMONPNESA-N
MW136.20 g/mol
LogP1.62
Rot. Bonds3

About (3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine

(3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine (PubChem CID 142847028) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine
PubChem CID142847028
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine
SMILESC=N/C(=C\C(=C)N)C(=C)C
InChIInChI=1S/C8H12N2/c1-6(2)8(10-4)5-7(3)9/h5H,1,3-4,9H2,2H3/b8-5-
InChIKeyDZSBZSILFWPBQR-YVMONPNESA-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 (3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine (CID 142847028) is (3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine is C=N/C(=C\C(=C)N)C(=C)C.
What is the InChIKey of (3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine?
The InChIKey is DZSBZSILFWPBQR-YVMONPNESA-N. The full InChI is InChI=1S/C8H12N2/c1-6(2)8(10-4)5-7(3)9/h5H,1,3-4,9H2,2H3/b8-5-.
What are the key properties of (3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine?
(3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-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 (3Z)-5-methyl-4-(methylideneamino)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142847028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).