6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine

C13H23N3O — CID 80871017

IUPAC6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(OCCCN(C)C)n1
InChIInChI=1S/C13H23N3O/c1-4-9-14-12-7-5-8-13(15-12)17-11-6-10-16(2)3/h5,7-8H,4,6,9-11H2,1-3H3,(H,14,15)
InChIKeyCAAXUUAYXBCRDQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.23
Rot. Bonds8

About 6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine

6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine (PubChem CID 80871017) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
PubChem CID80871017
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(OCCCN(C)C)n1
InChIInChI=1S/C13H23N3O/c1-4-9-14-12-7-5-8-13(15-12)17-11-6-10-16(2)3/h5,7-8H,4,6,9-11H2,1-3H3,(H,14,15)
InChIKeyCAAXUUAYXBCRDQ-UHFFFAOYSA-N
XLogP2.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.23
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-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine
CID 3031404
6-(3-methylbutoxy)-N-propylpyridin-2-amine
CID 80859395
N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
CID 62298223
6-(2-propan-2-yloxyethoxy)-N-propylpyridin-2-amine
CID 80860049
6-butoxy-N-ethylpyridin-2-amine
CID 80867318
N-propyl-6-prop-2-ynoxypyridin-2-amine
CID 80861470
6-prop-2-enoxy-N-propylpyridin-2-amine
CID 80868454
6-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102998825
6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine
CID 80872267
6-[(2-methylpropan-2-yl)oxy]-N-propylpyridin-2-amine
CID 80861017
6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774344
6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine
CID 79234138

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine (CID 80871017) is 6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine is CCCNc1cccc(OCCCN(C)C)n1.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine?
The InChIKey is CAAXUUAYXBCRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-9-14-12-7-5-8-13(15-12)17-11-6-10-16(2)3/h5,7-8H,4,6,9-11H2,1-3H3,(H,14,15).
What are the key properties of 6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine?
6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine is sourced from PubChem (CID 80871017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).