(2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine

C11H22N2 — CID 134406851

IUPAC(2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine
SMILESCCC/C(=C\C=C(\C)NC)CNC
InChIInChI=1S/C11H22N2/c1-5-6-11(9-12-3)8-7-10(2)13-4/h7-8,12-13H,5-6,9H2,1-4H3/b10-7-,11-8+
InChIKeyBMILJEZEVJWCMS-BDLVGCLISA-N
MW182.31 g/mol
LogP2.06
Rot. Bonds6

About (2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine

(2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine (PubChem CID 134406851) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine.

Molecular Properties

Compound Name(2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine
PubChem CID134406851
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine
SMILESCCC/C(=C\C=C(\C)NC)CNC
InChIInChI=1S/C11H22N2/c1-5-6-11(9-12-3)8-7-10(2)13-4/h7-8,12-13H,5-6,9H2,1-4H3/b10-7-,11-8+
InChIKeyBMILJEZEVJWCMS-BDLVGCLISA-N
XLogP2.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
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 (2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine?
The IUPAC name of (2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine (CID 134406851) is (2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine.
What is the SMILES notation for (2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine?
The canonical SMILES for (2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine is CCC/C(=C\C=C(\C)NC)CNC.
What is the InChIKey of (2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine?
The InChIKey is BMILJEZEVJWCMS-BDLVGCLISA-N. The full InChI is InChI=1S/C11H22N2/c1-5-6-11(9-12-3)8-7-10(2)13-4/h7-8,12-13H,5-6,9H2,1-4H3/b10-7-,11-8+.
What are the key properties of (2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine?
(2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine has a molecular weight of 182.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-N,5-N-dimethyl-2-propylhexa-2,4-diene-1,5-diamine is sourced from PubChem (CID 134406851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).