(E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine

C11H20N2 — CID 138703017

IUPAC(E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine
SMILES[H]/N=C(C)/C=C(\C=C\C(C)C)C(C)N
InChIInChI=1S/C11H20N2/c1-8(2)5-6-11(10(4)13)7-9(3)12/h5-8,10,12H,13H2,1-4H3/b6-5+,11-7+,12-9+
InChIKeyAZVVZPVRETYVEF-IIRBPZBJSA-N
MW180.29 g/mol
LogP2.51
Rot. Bonds4

About (E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine

(E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine (PubChem CID 138703017) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine.

Molecular Properties

Compound Name(E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine
PubChem CID138703017
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine
SMILES[H]/N=C(C)/C=C(\C=C\C(C)C)C(C)N
InChIInChI=1S/C11H20N2/c1-8(2)5-6-11(10(4)13)7-9(3)12/h5-8,10,12H,13H2,1-4H3/b6-5+,11-7+,12-9+
InChIKeyAZVVZPVRETYVEF-IIRBPZBJSA-N
XLogP2.51
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
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 (E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine?
The IUPAC name of (E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine (CID 138703017) is (E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine.
What is the SMILES notation for (E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine?
The canonical SMILES for (E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine is [H]/N=C(C)/C=C(\C=C\C(C)C)C(C)N.
What is the InChIKey of (E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine?
The InChIKey is AZVVZPVRETYVEF-IIRBPZBJSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)5-6-11(10(4)13)7-9(3)12/h5-8,10,12H,13H2,1-4H3/b6-5+,11-7+,12-9+.
What are the key properties of (E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine?
(E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine is sourced from PubChem (CID 138703017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).