6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine

C12H20ClN3 — CID 62298768

IUPAC6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1ccc(Cl)c(CN)n1
InChIInChI=1S/C12H20ClN3/c1-4-9(2)8-16(3)12-6-5-10(13)11(7-14)15-12/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyIQQCOTQZOBVBIN-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.68
Rot. Bonds5

About 6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine

6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine (PubChem CID 62298768) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
PubChem CID62298768
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1ccc(Cl)c(CN)n1
InChIInChI=1S/C12H20ClN3/c1-4-9(2)8-16(3)12-6-5-10(13)11(7-14)15-12/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyIQQCOTQZOBVBIN-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107871203
6-(aminomethyl)-5-chloro-N,N-diethylpyridin-2-amine
CID 62299273
6-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62286059
6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 63866672
6-(aminomethyl)-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 62286054
4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925467
5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279898
5-chloro-6-[[methyl(2-methylbutyl)amino]methyl]pyridin-2-amine
CID 62890774
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyrazin-2-amine
CID 62671805
6-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 61227436
6-(aminomethyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 55054743
6-(aminomethyl)-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984551

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The IUPAC name of 6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine (CID 62298768) is 6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The canonical SMILES for 6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine is CCC(C)CN(C)c1ccc(Cl)c(CN)n1.
What is the InChIKey of 6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The InChIKey is IQQCOTQZOBVBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-9(2)8-16(3)12-6-5-10(13)11(7-14)15-12/h5-6,9H,4,7-8,14H2,1-3H3.
What are the key properties of 6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine has a molecular weight of 241.77 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 62298768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).