(3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine

C10H20N2 — CID 163677037

IUPAC(3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine
SMILESC=C/C=C(/NCC)C(C)NCC
InChIInChI=1S/C10H20N2/c1-5-8-10(12-7-3)9(4)11-6-2/h5,8-9,11-12H,1,6-7H2,2-4H3/b10-8+
InChIKeyJHODJFPSAJNIRF-CSKARUKUSA-N
MW168.28 g/mol
LogP1.66
Rot. Bonds6

About (3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine

(3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine (PubChem CID 163677037) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine.

Molecular Properties

Compound Name(3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine
PubChem CID163677037
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine
SMILESC=C/C=C(/NCC)C(C)NCC
InChIInChI=1S/C10H20N2/c1-5-8-10(12-7-3)9(4)11-6-2/h5,8-9,11-12H,1,6-7H2,2-4H3/b10-8+
InChIKeyJHODJFPSAJNIRF-CSKARUKUSA-N
XLogP1.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.66
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 (3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine?
The IUPAC name of (3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine (CID 163677037) is (3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine.
What is the SMILES notation for (3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine?
The canonical SMILES for (3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine is C=C/C=C(/NCC)C(C)NCC.
What is the InChIKey of (3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine?
The InChIKey is JHODJFPSAJNIRF-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-8-10(12-7-3)9(4)11-6-2/h5,8-9,11-12H,1,6-7H2,2-4H3/b10-8+.
What are the key properties of (3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine?
(3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-N,3-N-diethylhexa-3,5-diene-2,3-diamine is sourced from PubChem (CID 163677037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).