N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine

C17H28N2 — CID 71391106

IUPACN,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine
SMILESCCN(C=CC(c1ccccc1)N(CC)CC)CC
InChIInChI=1S/C17H28N2/c1-5-18(6-2)15-14-17(19(7-3)8-4)16-12-10-9-11-13-16/h9-15,17H,5-8H2,1-4H3
InChIKeyPXTYVGZCRYHQRL-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.92
Rot. Bonds8

About N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine

N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine (PubChem CID 71391106) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine
PubChem CID71391106
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine
SMILESCCN(C=CC(c1ccccc1)N(CC)CC)CC
InChIInChI=1S/C17H28N2/c1-5-18(6-2)15-14-17(19(7-3)8-4)16-12-10-9-11-13-16/h9-15,17H,5-8H2,1-4H3
InChIKeyPXTYVGZCRYHQRL-UHFFFAOYSA-N
XLogP3.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine?
The IUPAC name of N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine (CID 71391106) is N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine.
What is the SMILES notation for N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine?
The canonical SMILES for N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine is CCN(C=CC(c1ccccc1)N(CC)CC)CC.
What is the InChIKey of N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine?
The InChIKey is PXTYVGZCRYHQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-18(6-2)15-14-17(19(7-3)8-4)16-12-10-9-11-13-16/h9-15,17H,5-8H2,1-4H3.
What are the key properties of N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine?
N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine is sourced from PubChem (CID 71391106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).