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

C10H14N2 — CID 126543079

IUPAC(3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine
SMILESC=C/C=C\C(N=C)=C(/C=C)NC
InChIInChI=1S/C10H14N2/c1-5-7-8-10(12-4)9(6-2)11-3/h5-8,11H,1-2,4H2,3H3/b8-7-,10-9-
InChIKeyIEUXLDUJPOBITE-QRLRYFCNSA-N
MW162.24 g/mol
LogP2.05
Rot. Bonds5

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

(3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine (PubChem CID 126543079) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine
PubChem CID126543079
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine
SMILESC=C/C=C\C(N=C)=C(/C=C)NC
InChIInChI=1S/C10H14N2/c1-5-7-8-10(12-4)9(6-2)11-3/h5-8,11H,1-2,4H2,3H3/b8-7-,10-9-
InChIKeyIEUXLDUJPOBITE-QRLRYFCNSA-N
XLogP2.05
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 ≤ 52.05
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)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine?
The IUPAC name of (3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine (CID 126543079) is (3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine.
What is the SMILES notation for (3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine?
The canonical SMILES for (3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine is C=C/C=C\C(N=C)=C(/C=C)NC.
What is the InChIKey of (3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine?
The InChIKey is IEUXLDUJPOBITE-QRLRYFCNSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-7-8-10(12-4)9(6-2)11-3/h5-8,11H,1-2,4H2,3H3/b8-7-,10-9-.
What are the key properties of (3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine?
(3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine has a molecular weight of 162.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-amine is sourced from PubChem (CID 126543079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).