(3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine

C10H14N2 — CID 166800420

IUPAC(3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C(C)\C(=C/C=C)NN=C
InChIInChI=1S/C10H14N2/c1-5-7-9(3)10(8-6-2)12-11-4/h5-8,12H,1-2,4H2,3H3/b9-7-,10-8+
InChIKeyJTGGOOPHFSCPBE-FKJILZIQSA-N
MW162.24 g/mol
LogP2.39
Rot. Bonds5

About (3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine

(3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine (PubChem CID 166800420) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine.

Molecular Properties

Compound Name(3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine
PubChem CID166800420
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C(C)\C(=C/C=C)NN=C
InChIInChI=1S/C10H14N2/c1-5-7-9(3)10(8-6-2)12-11-4/h5-8,12H,1-2,4H2,3H3/b9-7-,10-8+
InChIKeyJTGGOOPHFSCPBE-FKJILZIQSA-N
XLogP2.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
CID 88960569
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435
(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
CID 177208202
2,2-dimethyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]propanamide
CID 142174793
N-(methylideneamino)prop-1-en-2-amine
CID 58051997
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine
CID 143665734
N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
CID 146259127
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(4E)-4-methyl-3-oxohepta-4,6-dienoic acid
CID 88512756

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine?
The IUPAC name of (3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine (CID 166800420) is (3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine.
What is the SMILES notation for (3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine?
The canonical SMILES for (3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine is C=C/C=C(C)\C(=C/C=C)NN=C.
What is the InChIKey of (3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine?
The InChIKey is JTGGOOPHFSCPBE-FKJILZIQSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-7-9(3)10(8-6-2)12-11-4/h5-8,12H,1-2,4H2,3H3/b9-7-,10-8+.
What are the key properties of (3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine?
(3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine has a molecular weight of 162.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine is sourced from PubChem (CID 166800420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).