N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine

C16H28N2 — CID 62425629

IUPACN'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CNCC)c1ccccc1
InChIInChI=1S/C16H28N2/c1-4-12-18(13-5-2)16(14-17-6-3)15-10-8-7-9-11-15/h7-11,16-17H,4-6,12-14H2,1-3H3
InChIKeyRDDQTFTZKIYVDL-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.46
Rot. Bonds9

About N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine

N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine (PubChem CID 62425629) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
PubChem CID62425629
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CNCC)c1ccccc1
InChIInChI=1S/C16H28N2/c1-4-12-18(13-5-2)16(14-17-6-3)15-10-8-7-9-11-15/h7-11,16-17H,4-6,12-14H2,1-3H3
InChIKeyRDDQTFTZKIYVDL-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62427202
N'-ethyl-N-methyl-1-phenyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65488464
N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 55072043
N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine
CID 103340348
3-(dipropylamino)-3-phenylpropanenitrile
CID 55117965
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335
N-ethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62778521
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine (CID 62425629) is N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine is CCCN(CCC)C(CNCC)c1ccccc1.
What is the InChIKey of N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine?
The InChIKey is RDDQTFTZKIYVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-12-18(13-5-2)16(14-17-6-3)15-10-8-7-9-11-15/h7-11,16-17H,4-6,12-14H2,1-3H3.
What are the key properties of N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine?
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine is sourced from PubChem (CID 62425629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).