N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine

C14H24N2O — CID 131209291

IUPACN'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
SMILESCCCOCCNCCNCc1ccccc1
InChIInChI=1S/C14H24N2O/c1-2-11-17-12-10-15-8-9-16-13-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3
InChIKeyRSMANEAPULGKLS-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.79
Rot. Bonds10

About N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine

N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine (PubChem CID 131209291) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
PubChem CID131209291
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
SMILESCCCOCCNCCNCc1ccccc1
InChIInChI=1S/C14H24N2O/c1-2-11-17-12-10-15-8-9-16-13-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3
InChIKeyRSMANEAPULGKLS-UHFFFAOYSA-N
XLogP1.79
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-benzyl-2-(2-propoxyphenoxy)ethanamine
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2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532
2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106451262
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine
CID 51346176
N-[(2-bromophenyl)methyl]-2-propoxyethanamine
CID 106451772
N-benzyl-2-(2-cyclopropylethoxy)ethanamine
CID 106206256

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine (CID 131209291) is N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine is CCCOCCNCCNCc1ccccc1.
What is the InChIKey of N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine?
The InChIKey is RSMANEAPULGKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-11-17-12-10-15-8-9-16-13-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3.
What are the key properties of N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine?
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 131209291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).