(1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine

C11H20N2 — CID 89170105

IUPAC(1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine
SMILESC=C/C=C(C)\C=C(/N)N(CC)CC
InChIInChI=1S/C11H20N2/c1-5-8-10(4)9-11(12)13(6-2)7-3/h5,8-9H,1,6-7,12H2,2-4H3/b10-8-,11-9+
InChIKeyFNEDVGSLGQTTFF-PNQPDEHRSA-N
MW180.29 g/mol
LogP2.26
Rot. Bonds5

About (1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine

(1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine (PubChem CID 89170105) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine
PubChem CID89170105
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine
SMILESC=C/C=C(C)\C=C(/N)N(CC)CC
InChIInChI=1S/C11H20N2/c1-5-8-10(4)9-11(12)13(6-2)7-3/h5,8-9H,1,6-7,12H2,2-4H3/b10-8-,11-9+
InChIKeyFNEDVGSLGQTTFF-PNQPDEHRSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine?
The IUPAC name of (1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine (CID 89170105) is (1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine.
What is the SMILES notation for (1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine?
The canonical SMILES for (1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine is C=C/C=C(C)\C=C(/N)N(CC)CC.
What is the InChIKey of (1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine?
The InChIKey is FNEDVGSLGQTTFF-PNQPDEHRSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-8-10(4)9-11(12)13(6-2)7-3/h5,8-9H,1,6-7,12H2,2-4H3/b10-8-,11-9+.
What are the key properties of (1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine?
(1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine has a molecular weight of 180.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine is sourced from PubChem (CID 89170105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).