3-N,4-N-diethylhexa-1,5-diene-3,4-diamine

C10H20N2 — CID 89317989

IUPAC3-N,4-N-diethylhexa-1,5-diene-3,4-diamine
SMILESC=CC(NCC)C(C=C)NCC
InChIInChI=1S/C10H20N2/c1-5-9(11-7-3)10(6-2)12-8-4/h5-6,9-12H,1-2,7-8H2,3-4H3
InChIKeyJLTFMMSSPRZBMX-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.31
Rot. Bonds7

About 3-N,4-N-diethylhexa-1,5-diene-3,4-diamine

3-N,4-N-diethylhexa-1,5-diene-3,4-diamine (PubChem CID 89317989) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-N,4-N-diethylhexa-1,5-diene-3,4-diamine.

Molecular Properties

Compound Name3-N,4-N-diethylhexa-1,5-diene-3,4-diamine
PubChem CID89317989
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-N,4-N-diethylhexa-1,5-diene-3,4-diamine
SMILESC=CC(NCC)C(C=C)NCC
InChIInChI=1S/C10H20N2/c1-5-9(11-7-3)10(6-2)12-8-4/h5-6,9-12H,1-2,7-8H2,3-4H3
InChIKeyJLTFMMSSPRZBMX-UHFFFAOYSA-N
XLogP1.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.31
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 3-N,4-N-diethylhexa-1,5-diene-3,4-diamine?
The IUPAC name of 3-N,4-N-diethylhexa-1,5-diene-3,4-diamine (CID 89317989) is 3-N,4-N-diethylhexa-1,5-diene-3,4-diamine.
What is the SMILES notation for 3-N,4-N-diethylhexa-1,5-diene-3,4-diamine?
The canonical SMILES for 3-N,4-N-diethylhexa-1,5-diene-3,4-diamine is C=CC(NCC)C(C=C)NCC.
What is the InChIKey of 3-N,4-N-diethylhexa-1,5-diene-3,4-diamine?
The InChIKey is JLTFMMSSPRZBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-9(11-7-3)10(6-2)12-8-4/h5-6,9-12H,1-2,7-8H2,3-4H3.
What are the key properties of 3-N,4-N-diethylhexa-1,5-diene-3,4-diamine?
3-N,4-N-diethylhexa-1,5-diene-3,4-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-diethylhexa-1,5-diene-3,4-diamine is sourced from PubChem (CID 89317989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).