(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine

C9H14N2 — CID 88960569

IUPAC(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
SMILESC=NN/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C9H14N2/c1-5-6-7-9(8(2)3)11-10-4/h5-7,11H,2,4H2,1,3H3/b6-5-,9-7+
InChIKeySBWXGUADEXCFMN-BZWSEGBZSA-N
MW150.22 g/mol
LogP2.23
Rot. Bonds4

About (3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine

(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine (PubChem CID 88960569) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
PubChem CID88960569
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
SMILESC=NN/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C9H14N2/c1-5-6-7-9(8(2)3)11-10-4/h5-7,11H,2,4H2,1,3H3/b6-5-,9-7+
InChIKeySBWXGUADEXCFMN-BZWSEGBZSA-N
XLogP2.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.23
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine (CID 88960569) is (3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine is C=NN/C(=C/C=C\C)C(=C)C.
What is the InChIKey of (3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine?
The InChIKey is SBWXGUADEXCFMN-BZWSEGBZSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-6-7-9(8(2)3)11-10-4/h5-7,11H,2,4H2,1,3H3/b6-5-,9-7+.
What are the key properties of (3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine?
(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine has a molecular weight of 150.22 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 88960569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).