N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine

C26H56N2 — CID 171750142

IUPACN-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
SMILESCCCCCCCCCN(CC)CCCN(CCC)CCCCCCCCC
InChIInChI=1S/C26H56N2/c1-5-9-11-13-15-17-19-23-27(8-4)25-21-26-28(22-7-3)24-20-18-16-14-12-10-6-2/h5-26H2,1-4H3
InChIKeyZAFFXKXNCNKJMY-UHFFFAOYSA-N
MW396.75 g/mol
LogP7.91
Rot. Bonds23

About N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine

N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine (PubChem CID 171750142) has the molecular formula C26H56N2 and a molecular weight of 396.75 g/mol. Its IUPAC name is N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
PubChem CID171750142
Molecular FormulaC26H56N2
Molecular Weight396.75 g/mol
Exact Mass396.44
IUPAC NameN-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
SMILESCCCCCCCCCN(CC)CCCN(CCC)CCCCCCCCC
InChIInChI=1S/C26H56N2/c1-5-9-11-13-15-17-19-23-27(8-4)25-21-26-28(22-7-3)24-20-18-16-14-12-10-6-2/h5-26H2,1-4H3
InChIKeyZAFFXKXNCNKJMY-UHFFFAOYSA-N
XLogP7.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.75
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-propyldecan-1-amine
CID 56933807
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine (CID 171750142) is N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine is CCCCCCCCCN(CC)CCCN(CCC)CCCCCCCCC.
What is the InChIKey of N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine?
The InChIKey is ZAFFXKXNCNKJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N2/c1-5-9-11-13-15-17-19-23-27(8-4)25-21-26-28(22-7-3)24-20-18-16-14-12-10-6-2/h5-26H2,1-4H3.
What are the key properties of N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine?
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine has a molecular weight of 396.75 g/mol, XLogP of 7.91, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 171750142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).