N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine

C12H20ClN3 — CID 62285991

IUPACN-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCCCCN(C)c1ncc(CNC)cc1Cl
InChIInChI=1S/C12H20ClN3/c1-4-5-6-16(3)12-11(13)7-10(8-14-2)9-15-12/h7,9,14H,4-6,8H2,1-3H3
InChIKeyLRFOVZMZIOXGGU-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.69
Rot. Bonds6

About N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine

N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine (PubChem CID 62285991) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
PubChem CID62285991
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC NameN-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCCCCN(C)c1ncc(CNC)cc1Cl
InChIInChI=1S/C12H20ClN3/c1-4-5-6-16(3)12-11(13)7-10(8-14-2)9-15-12/h7,9,14H,4-6,8H2,1-3H3
InChIKeyLRFOVZMZIOXGGU-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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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine (CID 62285991) is N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine is CCCCN(C)c1ncc(CNC)cc1Cl.
What is the InChIKey of N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The InChIKey is LRFOVZMZIOXGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-5-6-16(3)12-11(13)7-10(8-14-2)9-15-12/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
N-butyl-3-chloro-N-methyl-5-(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-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62285991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).