(1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine

C12H20N2 — CID 145071780

IUPAC(1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine
SMILESC/C=C(\C=C/NC)C(=C/CC)/C=N/C
InChIInChI=1S/C12H20N2/c1-5-7-12(10-14-4)11(6-2)8-9-13-3/h6-10,13H,5H2,1-4H3/b9-8-,11-6+,12-7+,14-10+
InChIKeyFGJYZSPDAVEXHP-PXPOESFOSA-N
MW192.31 g/mol
LogP2.70
Rot. Bonds5

About (1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine

(1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine (PubChem CID 145071780) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine
PubChem CID145071780
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine
SMILESC/C=C(\C=C/NC)C(=C/CC)/C=N/C
InChIInChI=1S/C12H20N2/c1-5-7-12(10-14-4)11(6-2)8-9-13-3/h6-10,13H,5H2,1-4H3/b9-8-,11-6+,12-7+,14-10+
InChIKeyFGJYZSPDAVEXHP-PXPOESFOSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.70
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 (1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine?
The IUPAC name of (1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine (CID 145071780) is (1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine.
What is the SMILES notation for (1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine?
The canonical SMILES for (1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine is C/C=C(\C=C/NC)C(=C/CC)/C=N/C.
What is the InChIKey of (1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine?
The InChIKey is FGJYZSPDAVEXHP-PXPOESFOSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-12(10-14-4)11(6-2)8-9-13-3/h6-10,13H,5H2,1-4H3/b9-8-,11-6+,12-7+,14-10+.
What are the key properties of (1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine?
(1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine is sourced from PubChem (CID 145071780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).