(E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine

C12H20N2 — CID 166656259

IUPAC(E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine
SMILESC=C(C/C=C\C)/C(C)=N/C=C(\C)NC
InChIInChI=1S/C12H20N2/c1-6-7-8-10(2)12(4)14-9-11(3)13-5/h6-7,9,13H,2,8H2,1,3-5H3/b7-6-,11-9+,14-12+
InChIKeyWRGZBJKZUGXZPK-UUQIXTPHSA-N
MW192.31 g/mol
LogP3.05
Rot. Bonds5

About (E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine

(E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine (PubChem CID 166656259) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine.

Molecular Properties

Compound Name(E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine
PubChem CID166656259
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine
SMILESC=C(C/C=C\C)/C(C)=N/C=C(\C)NC
InChIInChI=1S/C12H20N2/c1-6-7-8-10(2)12(4)14-9-11(3)13-5/h6-7,9,13H,2,8H2,1,3-5H3/b7-6-,11-9+,14-12+
InChIKeyWRGZBJKZUGXZPK-UUQIXTPHSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine?
The IUPAC name of (E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine (CID 166656259) is (E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine.
What is the SMILES notation for (E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine?
The canonical SMILES for (E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine is C=C(C/C=C\C)/C(C)=N/C=C(\C)NC.
What is the InChIKey of (E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine?
The InChIKey is WRGZBJKZUGXZPK-UUQIXTPHSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-7-8-10(2)12(4)14-9-11(3)13-5/h6-7,9,13H,2,8H2,1,3-5H3/b7-6-,11-9+,14-12+.
What are the key properties of (E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine?
(E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine has a molecular weight of 192.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine is sourced from PubChem (CID 166656259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).