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

C15H26ClN3 — CID 102915299

IUPAC3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCNCc1cnc(NCC(C(C)C)C(C)C)c(Cl)c1
InChIInChI=1S/C15H26ClN3/c1-10(2)13(11(3)4)9-19-15-14(16)6-12(7-17-5)8-18-15/h6,8,10-11,13,17H,7,9H2,1-5H3,(H,18,19)
InChIKeyZLCLUWIJUQXSIJ-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.79
Rot. Bonds7

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

3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (PubChem CID 102915299) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
PubChem CID102915299
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCNCc1cnc(NCC(C(C)C)C(C)C)c(Cl)c1
InChIInChI=1S/C15H26ClN3/c1-10(2)13(11(3)4)9-19-15-14(16)6-12(7-17-5)8-18-15/h6,8,10-11,13,17H,7,9H2,1-5H3,(H,18,19)
InChIKeyZLCLUWIJUQXSIJ-UHFFFAOYSA-N
XLogP3.79
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (CID 102915299) is 3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is CNCc1cnc(NCC(C(C)C)C(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The InChIKey is ZLCLUWIJUQXSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-10(2)13(11(3)4)9-19-15-14(16)6-12(7-17-5)8-18-15/h6,8,10-11,13,17H,7,9H2,1-5H3,(H,18,19).
What are the key properties of 3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine has a molecular weight of 283.85 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is sourced from PubChem (CID 102915299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).