(E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine

C9H20N2 — CID 55253540

IUPAC(E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine
SMILESCCC(N)C/C(C)=C/N(C)C
InChIInChI=1S/C9H20N2/c1-5-9(10)6-8(2)7-11(3)4/h7,9H,5-6,10H2,1-4H3/b8-7+
InChIKeyZOCUADLOBJIGIN-BQYQJAHWSA-N
MW156.27 g/mol
LogP1.58
Rot. Bonds4

About (E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine

(E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine (PubChem CID 55253540) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine
PubChem CID55253540
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine
SMILESCCC(N)C/C(C)=C/N(C)C
InChIInChI=1S/C9H20N2/c1-5-9(10)6-8(2)7-11(3)4/h7,9H,5-6,10H2,1-4H3/b8-7+
InChIKeyZOCUADLOBJIGIN-BQYQJAHWSA-N
XLogP1.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine?
The IUPAC name of (E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine (CID 55253540) is (E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine.
What is the SMILES notation for (E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine?
The canonical SMILES for (E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine is CCC(N)C/C(C)=C/N(C)C.
What is the InChIKey of (E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine?
The InChIKey is ZOCUADLOBJIGIN-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-9(10)6-8(2)7-11(3)4/h7,9H,5-6,10H2,1-4H3/b8-7+.
What are the key properties of (E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine?
(E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N,2-trimethylhex-1-ene-1,4-diamine is sourced from PubChem (CID 55253540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).