(Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine

C12H21N3 — CID 138637140

IUPAC(Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine
SMILESC=N/C(C)=C(\CCC)C(=C)/C(=C/N)NC
InChIInChI=1S/C12H21N3/c1-6-7-11(10(3)14-4)9(2)12(8-13)15-5/h8,15H,2,4,6-7,13H2,1,3,5H3/b11-10+,12-8-
InChIKeyLMLAGJURXSHJER-LMWGADSXSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds6

About (Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine

(Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine (PubChem CID 138637140) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine
PubChem CID138637140
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine
SMILESC=N/C(C)=C(\CCC)C(=C)/C(=C/N)NC
InChIInChI=1S/C12H21N3/c1-6-7-11(10(3)14-4)9(2)12(8-13)15-5/h8,15H,2,4,6-7,13H2,1,3,5H3/b11-10+,12-8-
InChIKeyLMLAGJURXSHJER-LMWGADSXSA-N
XLogP2.34
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine?
The IUPAC name of (Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine (CID 138637140) is (Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine.
What is the SMILES notation for (Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine?
The canonical SMILES for (Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine is C=N/C(C)=C(\CCC)C(=C)/C(=C/N)NC.
What is the InChIKey of (Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine?
The InChIKey is LMLAGJURXSHJER-LMWGADSXSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-7-11(10(3)14-4)9(2)12(8-13)15-5/h8,15H,2,4,6-7,13H2,1,3,5H3/b11-10+,12-8-.
What are the key properties of (Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine?
(Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-2-N-methyl-3-methylidene-4-[1-(methylideneamino)ethylidene]hept-1-ene-1,2-diamine is sourced from PubChem (CID 138637140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).