(Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine

C13H22N2 — CID 139355968

IUPAC(Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine
SMILESC=CCN(N=C)C(=C\C)/C(=C/C)CCC
InChIInChI=1S/C13H22N2/c1-6-10-12(8-3)13(9-4)15(14-5)11-7-2/h7-9H,2,5-6,10-11H2,1,3-4H3/b12-8+,13-9-
InChIKeyWEOZMEHQAVTNBY-UQXQTEIVSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds7

About (Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine

(Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine (PubChem CID 139355968) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine.

Molecular Properties

Compound Name(Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine
PubChem CID139355968
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine
SMILESC=CCN(N=C)C(=C\C)/C(=C/C)CCC
InChIInChI=1S/C13H22N2/c1-6-10-12(8-3)13(9-4)15(14-5)11-7-2/h7-9H,2,5-6,10-11H2,1,3-4H3/b12-8+,13-9-
InChIKeyWEOZMEHQAVTNBY-UQXQTEIVSA-N
XLogP3.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine?
The IUPAC name of (Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine (CID 139355968) is (Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine.
What is the SMILES notation for (Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine?
The canonical SMILES for (Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine is C=CCN(N=C)C(=C\C)/C(=C/C)CCC.
What is the InChIKey of (Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine?
The InChIKey is WEOZMEHQAVTNBY-UQXQTEIVSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-10-12(8-3)13(9-4)15(14-5)11-7-2/h7-9H,2,5-6,10-11H2,1,3-4H3/b12-8+,13-9-.
What are the key properties of (Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine?
(Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine has a molecular weight of 206.33 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine is sourced from PubChem (CID 139355968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).