N,N-dibutyl-3-chloropyridin-2-amine

C13H21ClN2 — CID 135025261

IUPACN,N-dibutyl-3-chloropyridin-2-amine
SMILESCCCCN(CCCC)c1ncccc1Cl
InChIInChI=1S/C13H21ClN2/c1-3-5-10-16(11-6-4-2)13-12(14)8-7-9-15-13/h7-9H,3-6,10-11H2,1-2H3
InChIKeyGNNJPOOSXZEZBZ-UHFFFAOYSA-N
MW240.78 g/mol
LogP4.14
Rot. Bonds7

About N,N-dibutyl-3-chloropyridin-2-amine

N,N-dibutyl-3-chloropyridin-2-amine (PubChem CID 135025261) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N,N-dibutyl-3-chloropyridin-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-3-chloropyridin-2-amine
PubChem CID135025261
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN,N-dibutyl-3-chloropyridin-2-amine
SMILESCCCCN(CCCC)c1ncccc1Cl
InChIInChI=1S/C13H21ClN2/c1-3-5-10-16(11-6-4-2)13-12(14)8-7-9-15-13/h7-9H,3-6,10-11H2,1-2H3
InChIKeyGNNJPOOSXZEZBZ-UHFFFAOYSA-N
XLogP4.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620455
N,N-dibutyl-3-(methylaminomethyl)pyridin-2-amine
CID 62279311
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
2-[butyl-(3-propoxy-2-pyridinyl)amino]ethanol
CID 113371170
N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62591421
N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 60870040
3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
CID 107205302
2-[(3-chloro-2-pyridinyl)-methylamino]ethanol
CID 10241546
3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 63388310
2-[(3-chloro-2-pyridinyl)-ethylamino]-N-ethylacetamide
CID 133382755
methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 113331207
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 61446274

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-chloropyridin-2-amine?
The IUPAC name of N,N-dibutyl-3-chloropyridin-2-amine (CID 135025261) is N,N-dibutyl-3-chloropyridin-2-amine.
What is the SMILES notation for N,N-dibutyl-3-chloropyridin-2-amine?
The canonical SMILES for N,N-dibutyl-3-chloropyridin-2-amine is CCCCN(CCCC)c1ncccc1Cl.
What is the InChIKey of N,N-dibutyl-3-chloropyridin-2-amine?
The InChIKey is GNNJPOOSXZEZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-5-10-16(11-6-4-2)13-12(14)8-7-9-15-13/h7-9H,3-6,10-11H2,1-2H3.
What are the key properties of N,N-dibutyl-3-chloropyridin-2-amine?
N,N-dibutyl-3-chloropyridin-2-amine has a molecular weight of 240.78 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-chloropyridin-2-amine is sourced from PubChem (CID 135025261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).