N'-ethyl-N'-phenylpropane-1,3-diamine

C11H18N2 — CID 3152197

IUPACN'-ethyl-N'-phenylpropane-1,3-diamine
SMILESCCN(CCCN)c1ccccc1
InChIInChI=1S/C11H18N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,12H2,1H3
InChIKeyGHGKUGQRRXYXEJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.86
Rot. Bonds5

About N'-ethyl-N'-phenylpropane-1,3-diamine

N'-ethyl-N'-phenylpropane-1,3-diamine (PubChem CID 3152197) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-ethyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-phenylpropane-1,3-diamine
PubChem CID3152197
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-ethyl-N'-phenylpropane-1,3-diamine
SMILESCCN(CCCN)c1ccccc1
InChIInChI=1S/C11H18N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,12H2,1H3
InChIKeyGHGKUGQRRXYXEJ-UHFFFAOYSA-N
XLogP1.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-phenylpropane-1,3-diamine (CID 3152197) is N'-ethyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-phenylpropane-1,3-diamine is CCN(CCCN)c1ccccc1.
What is the InChIKey of N'-ethyl-N'-phenylpropane-1,3-diamine?
The InChIKey is GHGKUGQRRXYXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,12H2,1H3.
What are the key properties of N'-ethyl-N'-phenylpropane-1,3-diamine?
N'-ethyl-N'-phenylpropane-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 3152197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).