1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine

C13H20N2 — CID 142010707

IUPAC1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine
SMILESC=C(CN(CC)CC)Nc1ccccc1
InChIInChI=1S/C13H20N2/c1-4-15(5-2)11-12(3)14-13-9-7-6-8-10-13/h6-10,14H,3-5,11H2,1-2H3
InChIKeyVRPFZDZWMHFEKW-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.95
Rot. Bonds6

About 1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine

1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine (PubChem CID 142010707) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine
PubChem CID142010707
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine
SMILESC=C(CN(CC)CC)Nc1ccccc1
InChIInChI=1S/C13H20N2/c1-4-15(5-2)11-12(3)14-13-9-7-6-8-10-13/h6-10,14H,3-5,11H2,1-2H3
InChIKeyVRPFZDZWMHFEKW-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine (CID 142010707) is 1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine is C=C(CN(CC)CC)Nc1ccccc1.
What is the InChIKey of 1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine?
The InChIKey is VRPFZDZWMHFEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-15(5-2)11-12(3)14-13-9-7-6-8-10-13/h6-10,14H,3-5,11H2,1-2H3.
What are the key properties of 1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine?
1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine is sourced from PubChem (CID 142010707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).