(E)-1-N,3-diethylhex-2-ene-1,2-diamine

C10H22N2 — CID 129017119

IUPAC(E)-1-N,3-diethylhex-2-ene-1,2-diamine
SMILESCCC/C(CC)=C(/N)CNCC
InChIInChI=1S/C10H22N2/c1-4-7-9(5-2)10(11)8-12-6-3/h12H,4-8,11H2,1-3H3/b10-9+
InChIKeyDTOLVRGEJUBJQL-MDZDMXLPSA-N
MW170.30 g/mol
LogP2.02
Rot. Bonds6

About (E)-1-N,3-diethylhex-2-ene-1,2-diamine

(E)-1-N,3-diethylhex-2-ene-1,2-diamine (PubChem CID 129017119) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-1-N,3-diethylhex-2-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N,3-diethylhex-2-ene-1,2-diamine
PubChem CID129017119
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(E)-1-N,3-diethylhex-2-ene-1,2-diamine
SMILESCCC/C(CC)=C(/N)CNCC
InChIInChI=1S/C10H22N2/c1-4-7-9(5-2)10(11)8-12-6-3/h12H,4-8,11H2,1-3H3/b10-9+
InChIKeyDTOLVRGEJUBJQL-MDZDMXLPSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,3-diethylhex-2-ene-1,2-diamine?
The IUPAC name of (E)-1-N,3-diethylhex-2-ene-1,2-diamine (CID 129017119) is (E)-1-N,3-diethylhex-2-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N,3-diethylhex-2-ene-1,2-diamine?
The canonical SMILES for (E)-1-N,3-diethylhex-2-ene-1,2-diamine is CCC/C(CC)=C(/N)CNCC.
What is the InChIKey of (E)-1-N,3-diethylhex-2-ene-1,2-diamine?
The InChIKey is DTOLVRGEJUBJQL-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-7-9(5-2)10(11)8-12-6-3/h12H,4-8,11H2,1-3H3/b10-9+.
What are the key properties of (E)-1-N,3-diethylhex-2-ene-1,2-diamine?
(E)-1-N,3-diethylhex-2-ene-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,3-diethylhex-2-ene-1,2-diamine is sourced from PubChem (CID 129017119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).