1-N,1-N'-diethylprop-1-ene-1,1-diamine

C7H16N2 — CID 87221910

IUPAC1-N,1-N'-diethylprop-1-ene-1,1-diamine
SMILESCC=C(NCC)NCC
InChIInChI=1S/C7H16N2/c1-4-7(8-5-2)9-6-3/h4,8-9H,5-6H2,1-3H3
InChIKeyRAKPPGUBRSGSSP-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.07
Rot. Bonds4

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

1-N,1-N'-diethylprop-1-ene-1,1-diamine (PubChem CID 87221910) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-N,1-N'-diethylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-diethylprop-1-ene-1,1-diamine
PubChem CID87221910
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-N,1-N'-diethylprop-1-ene-1,1-diamine
SMILESCC=C(NCC)NCC
InChIInChI=1S/C7H16N2/c1-4-7(8-5-2)9-6-3/h4,8-9H,5-6H2,1-3H3
InChIKeyRAKPPGUBRSGSSP-UHFFFAOYSA-N
XLogP1.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.07
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'-diethylprop-1-ene-1,1-diamine?
The IUPAC name of 1-N,1-N'-diethylprop-1-ene-1,1-diamine (CID 87221910) is 1-N,1-N'-diethylprop-1-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-diethylprop-1-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-diethylprop-1-ene-1,1-diamine is CC=C(NCC)NCC.
What is the InChIKey of 1-N,1-N'-diethylprop-1-ene-1,1-diamine?
The InChIKey is RAKPPGUBRSGSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-7(8-5-2)9-6-3/h4,8-9H,5-6H2,1-3H3.
What are the key properties of 1-N,1-N'-diethylprop-1-ene-1,1-diamine?
1-N,1-N'-diethylprop-1-ene-1,1-diamine has a molecular weight of 128.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-diethylprop-1-ene-1,1-diamine is sourced from PubChem (CID 87221910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).