(4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine

C12H24N2 — CID 87113234

IUPAC(4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine
SMILESC=C/C(=C\CC(C)NC)N(CC)CC
InChIInChI=1S/C12H24N2/c1-6-12(14(7-2)8-3)10-9-11(4)13-5/h6,10-11,13H,1,7-9H2,2-5H3/b12-10+
InChIKeyGGNLYBMXKLOQDV-ZRDIBKRKSA-N
MW196.34 g/mol
LogP2.40
Rot. Bonds7

About (4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine

(4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine (PubChem CID 87113234) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine.

Molecular Properties

Compound Name(4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine
PubChem CID87113234
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine
SMILESC=C/C(=C\CC(C)NC)N(CC)CC
InChIInChI=1S/C12H24N2/c1-6-12(14(7-2)8-3)10-9-11(4)13-5/h6,10-11,13H,1,7-9H2,2-5H3/b12-10+
InChIKeyGGNLYBMXKLOQDV-ZRDIBKRKSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.40
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 (4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine?
The IUPAC name of (4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine (CID 87113234) is (4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine.
What is the SMILES notation for (4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine?
The canonical SMILES for (4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine is C=C/C(=C\CC(C)NC)N(CC)CC.
What is the InChIKey of (4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine?
The InChIKey is GGNLYBMXKLOQDV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-12(14(7-2)8-3)10-9-11(4)13-5/h6,10-11,13H,1,7-9H2,2-5H3/b12-10+.
What are the key properties of (4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine?
(4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-N,5-N-diethyl-2-N-methylhepta-4,6-diene-2,5-diamine is sourced from PubChem (CID 87113234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).