N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine

C12H20ClN3 — CID 62285649

IUPACN-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine
SMILESCCCCN(C)c1ccc(Cl)c(CNC)n1
InChIInChI=1S/C12H20ClN3/c1-4-5-8-16(3)12-7-6-10(13)11(15-12)9-14-2/h6-7,14H,4-5,8-9H2,1-3H3
InChIKeyKEYDZBDDYGBMKL-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.69
Rot. Bonds6

About N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine

N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine (PubChem CID 62285649) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine
PubChem CID62285649
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC NameN-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine
SMILESCCCCN(C)c1ccc(Cl)c(CNC)n1
InChIInChI=1S/C12H20ClN3/c1-4-5-8-16(3)12-7-6-10(13)11(15-12)9-14-2/h6-7,14H,4-5,8-9H2,1-3H3
InChIKeyKEYDZBDDYGBMKL-UHFFFAOYSA-N
XLogP2.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-Chloro-2-pyridinyl)-4-piperidinamine hydrochloride
CID 131746
1-(6-Chloro-2-pyridinyl)-4-piperidinamine
CID 131747
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
1-(6-Chloropyridin-2-yl)piperazine
CID 3024499
2-Amino-3,5-dichloro-6-methylpyridine
CID 1415863
1-Methyl-4-(6-methylpyridin-2-yl)piperazine
CID 10655345
2-Chloro-6-(4-methylpiperazino)pyridine
CID 10727230
Piperazine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride
CID 3024498
Piperazine, 1-(6-methyl-2-pyridinyl)-, dihydrochloride
CID 3078152
1-(6-Methylpyridin-2-YL)-1,4-diazepane
CID 24208848
N,6-dimethylpyridin-2-amine
CID 3839092

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine (CID 62285649) is N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine is CCCCN(C)c1ccc(Cl)c(CNC)n1.
What is the InChIKey of N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The InChIKey is KEYDZBDDYGBMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-5-8-16(3)12-7-6-10(13)11(15-12)9-14-2/h6-7,14H,4-5,8-9H2,1-3H3.
What are the key properties of N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine has a molecular weight of 241.77 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62285649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).