N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine

C14H24N2O — CID 107367178

IUPACN'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
SMILESCCOCCN(CCCN)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c1-2-17-12-11-16(10-6-9-15)13-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13,15H2,1H3
InChIKeyUCLRSZADVCUIED-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.87
Rot. Bonds9

About N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine

N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine (PubChem CID 107367178) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
PubChem CID107367178
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
SMILESCCOCCN(CCCN)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c1-2-17-12-11-16(10-6-9-15)13-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13,15H2,1H3
InChIKeyUCLRSZADVCUIED-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine
CID 155672895
N-benzyl-N-(2-chloroethyl)-3-ethoxypropan-1-amine
CID 65177773
N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine
CID 107367846
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
3-[[bis(2-ethoxyethyl)amino]methyl]aniline
CID 82965943
2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol
CID 61069966
N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55170937
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
3-[1-[3-[benzyl(3-phenylmethoxypropyl)amino]propoxy]ethoxy]propan-1-amine
CID 177226788
N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 134112447

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine (CID 107367178) is N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine is CCOCCN(CCCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine?
The InChIKey is UCLRSZADVCUIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-17-12-11-16(10-6-9-15)13-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13,15H2,1H3.
What are the key properties of N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine?
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 107367178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).