1-N,1-N'-diethylpent-1-ene-1,1-diamine

C9H20N2 — CID 139931011

IUPAC1-N,1-N'-diethylpent-1-ene-1,1-diamine
SMILESCCCC=C(NCC)NCC
InChIInChI=1S/C9H20N2/c1-4-7-8-9(10-5-2)11-6-3/h8,10-11H,4-7H2,1-3H3
InChIKeyIHUMJDXQCPHKAI-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.85
Rot. Bonds6

About 1-N,1-N'-diethylpent-1-ene-1,1-diamine

1-N,1-N'-diethylpent-1-ene-1,1-diamine (PubChem CID 139931011) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N,1-N'-diethylpent-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-diethylpent-1-ene-1,1-diamine
PubChem CID139931011
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N,1-N'-diethylpent-1-ene-1,1-diamine
SMILESCCCC=C(NCC)NCC
InChIInChI=1S/C9H20N2/c1-4-7-8-9(10-5-2)11-6-3/h8,10-11H,4-7H2,1-3H3
InChIKeyIHUMJDXQCPHKAI-UHFFFAOYSA-N
XLogP1.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-diethylpent-1-ene-1,1-diamine?
The IUPAC name of 1-N,1-N'-diethylpent-1-ene-1,1-diamine (CID 139931011) is 1-N,1-N'-diethylpent-1-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-diethylpent-1-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-diethylpent-1-ene-1,1-diamine is CCCC=C(NCC)NCC.
What is the InChIKey of 1-N,1-N'-diethylpent-1-ene-1,1-diamine?
The InChIKey is IHUMJDXQCPHKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-7-8-9(10-5-2)11-6-3/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 1-N,1-N'-diethylpent-1-ene-1,1-diamine?
1-N,1-N'-diethylpent-1-ene-1,1-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-diethylpent-1-ene-1,1-diamine is sourced from PubChem (CID 139931011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).