5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine

C15H25N3O — CID 80634547

IUPAC5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine
SMILESCC(N)Cc1ccc(N(C)CCOCC2CC2)nc1
InChIInChI=1S/C15H25N3O/c1-12(16)9-14-5-6-15(17-10-14)18(2)7-8-19-11-13-3-4-13/h5-6,10,12-13H,3-4,7-9,11,16H2,1-2H3
InChIKeyIODUMRBUKRNCST-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.83
Rot. Bonds8

About 5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine

5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine (PubChem CID 80634547) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine
PubChem CID80634547
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine
SMILESCC(N)Cc1ccc(N(C)CCOCC2CC2)nc1
InChIInChI=1S/C15H25N3O/c1-12(16)9-14-5-6-15(17-10-14)18(2)7-8-19-11-13-3-4-13/h5-6,10,12-13H,3-4,7-9,11,16H2,1-2H3
InChIKeyIODUMRBUKRNCST-UHFFFAOYSA-N
XLogP1.83
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine (CID 80634547) is 5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine is CC(N)Cc1ccc(N(C)CCOCC2CC2)nc1.
What is the InChIKey of 5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine?
The InChIKey is IODUMRBUKRNCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(16)9-14-5-6-15(17-10-14)18(2)7-8-19-11-13-3-4-13/h5-6,10,12-13H,3-4,7-9,11,16H2,1-2H3.
What are the key properties of 5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine?
5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 80634547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).