(1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine

C9H18N2 — CID 137401131

IUPAC(1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine
SMILESC/C=C\C/C(C)=C(\N)NCC
InChIInChI=1S/C9H18N2/c1-4-6-7-8(3)9(10)11-5-2/h4,6,11H,5,7,10H2,1-3H3/b6-4-,9-8+
InChIKeyAHUZDGVYXDHRFS-LJWGDIBWSA-N
MW154.26 g/mol
LogP1.75
Rot. Bonds4

About (1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine

(1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine (PubChem CID 137401131) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine.

Molecular Properties

Compound Name(1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine
PubChem CID137401131
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine
SMILESC/C=C\C/C(C)=C(\N)NCC
InChIInChI=1S/C9H18N2/c1-4-6-7-8(3)9(10)11-5-2/h4,6,11H,5,7,10H2,1-3H3/b6-4-,9-8+
InChIKeyAHUZDGVYXDHRFS-LJWGDIBWSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine?
The IUPAC name of (1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine (CID 137401131) is (1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine.
What is the SMILES notation for (1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine?
The canonical SMILES for (1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine is C/C=C\C/C(C)=C(\N)NCC.
What is the InChIKey of (1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine?
The InChIKey is AHUZDGVYXDHRFS-LJWGDIBWSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-7-8(3)9(10)11-5-2/h4,6,11H,5,7,10H2,1-3H3/b6-4-,9-8+.
What are the key properties of (1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine?
(1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine is sourced from PubChem (CID 137401131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).