N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

C14H25N3O — CID 62560097

IUPACN-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCOCCCNCCN(C)CCc1ccncc1
InChIInChI=1S/C14H25N3O/c1-17(12-10-15-7-3-13-18-2)11-6-14-4-8-16-9-5-14/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3
InChIKeyOLTJBOCDGQAERO-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.18
Rot. Bonds10

About N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (PubChem CID 62560097) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
PubChem CID62560097
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCOCCCNCCN(C)CCc1ccncc1
InChIInChI=1S/C14H25N3O/c1-17(12-10-15-7-3-13-18-2)11-6-14-4-8-16-9-5-14/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3
InChIKeyOLTJBOCDGQAERO-UHFFFAOYSA-N
XLogP1.18
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
N-(2-methoxyethyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65486266
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60649512
N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63264515
N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 106045836
4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 62476974
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
N'-(2-methoxyethyl)-N'-methyl-N-pyridin-4-ylethane-1,2-diamine
CID 62844188
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62560797

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (CID 62560097) is N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is COCCCNCCN(C)CCc1ccncc1.
What is the InChIKey of N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is OLTJBOCDGQAERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-17(12-10-15-7-3-13-18-2)11-6-14-4-8-16-9-5-14/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).