1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine

C15H27N3O — CID 62557319

IUPAC1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
SMILESCOCCCNCC(C)N(C)CCc1ccccn1
InChIInChI=1S/C15H27N3O/c1-14(13-16-9-6-12-19-3)18(2)11-8-15-7-4-5-10-17-15/h4-5,7,10,14,16H,6,8-9,11-13H2,1-3H3
InChIKeySTOLDQYITJAIQS-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.57
Rot. Bonds10

About 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine

1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine (PubChem CID 62557319) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
PubChem CID62557319
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
SMILESCOCCCNCC(C)N(C)CCc1ccccn1
InChIInChI=1S/C15H27N3O/c1-14(13-16-9-6-12-19-3)18(2)11-8-15-7-4-5-10-17-15/h4-5,7,10,14,16H,6,8-9,11-13H2,1-3H3
InChIKeySTOLDQYITJAIQS-UHFFFAOYSA-N
XLogP1.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.57
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

2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62417470
2-N-methyl-2-N-(2-pyridin-2-ylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62557484
1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 55089385
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
CID 64696510
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 83042410
3-[methyl(2-pyridin-2-ylethyl)amino]butanethioamide
CID 60915227
3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 43187234
6-methoxy-N-propyl-1-pyridin-2-ylhexan-3-amine
CID 105190112
2-N-cyclopropyl-2-N-methyl-1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 114133382
1-N-(3-methoxypropyl)-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63024687
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
The IUPAC name of 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine (CID 62557319) is 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine is COCCCNCC(C)N(C)CCc1ccccn1.
What is the InChIKey of 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
The InChIKey is STOLDQYITJAIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-14(13-16-9-6-12-19-3)18(2)11-8-15-7-4-5-10-17-15/h4-5,7,10,14,16H,6,8-9,11-13H2,1-3H3.
What are the key properties of 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 62557319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).