N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine

C13H23N3O — CID 3031404

IUPACN-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine
SMILESCCCCNc1cccc(OCCN(C)C)n1
InChIInChI=1S/C13H23N3O/c1-4-5-9-14-12-7-6-8-13(15-12)17-11-10-16(2)3/h6-8H,4-5,9-11H2,1-3H3,(H,14,15)
InChIKeyLCDFPSQADCIYGU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.23
Rot. Bonds8

About N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine

N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine (PubChem CID 3031404) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine
PubChem CID3031404
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine
SMILESCCCCNc1cccc(OCCN(C)C)n1
InChIInChI=1S/C13H23N3O/c1-4-5-9-14-12-7-6-8-13(15-12)17-11-10-16(2)3/h6-8H,4-5,9-11H2,1-3H3,(H,14,15)
InChIKeyLCDFPSQADCIYGU-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

6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 80871017
6-butoxy-N-ethylpyridin-2-amine
CID 80867318
6-butoxy-N-tert-butylpyridin-2-amine
CID 115498673
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
6-(3-methylbutoxy)-N-propylpyridin-2-amine
CID 80859395
6-(2-propan-2-yloxyethoxy)-N-propylpyridin-2-amine
CID 80860049
2-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787
2,6-dibutoxypyridine
CID 67437244
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684
N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
CID 62298223
N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63591133

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine?
The IUPAC name of N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine (CID 3031404) is N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine.
What is the SMILES notation for N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine?
The canonical SMILES for N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine is CCCCNc1cccc(OCCN(C)C)n1.
What is the InChIKey of N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine?
The InChIKey is LCDFPSQADCIYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-5-9-14-12-7-6-8-13(15-12)17-11-10-16(2)3/h6-8H,4-5,9-11H2,1-3H3,(H,14,15).
What are the key properties of N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine?
N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-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 N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine is sourced from PubChem (CID 3031404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).