1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine

C14H25N3O — CID 113407670

IUPAC1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine
SMILESCOCCNCC(C)NCCCc1cccnc1
InChIInChI=1S/C14H25N3O/c1-13(11-16-9-10-18-2)17-8-4-6-14-5-3-7-15-12-14/h3,5,7,12-13,16-17H,4,6,8-11H2,1-2H3
InChIKeyIGHRGVIBDPMCQM-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.23
Rot. Bonds10

About 1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine

1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine (PubChem CID 113407670) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine
PubChem CID113407670
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine
SMILESCOCCNCC(C)NCCCc1cccnc1
InChIInChI=1S/C14H25N3O/c1-13(11-16-9-10-18-2)17-8-4-6-14-5-3-7-15-12-14/h3,5,7,12-13,16-17H,4,6,8-11H2,1-2H3
InChIKeyIGHRGVIBDPMCQM-UHFFFAOYSA-N
XLogP1.23
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine
CID 115407048
1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 106989465
1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553103
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine
CID 62583823
N-(2-pyridin-3-ylethyl)octan-2-amine
CID 60914592
N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
CID 54956617
1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 115655378
N-methyl-6-pyridin-3-ylhexan-2-amine
CID 18177774
CID 58450299
CID 58450299
N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63264515

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine (CID 113407670) is 1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine is COCCNCC(C)NCCCc1cccnc1.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine?
The InChIKey is IGHRGVIBDPMCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-13(11-16-9-10-18-2)17-8-4-6-14-5-3-7-15-12-14/h3,5,7,12-13,16-17H,4,6,8-11H2,1-2H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine?
1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine is sourced from PubChem (CID 113407670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).