N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine

C13H23N3 — CID 62284119

IUPACN-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1cc(CNC)ccn1
InChIInChI=1S/C13H23N3/c1-5-12(6-2)16(4)13-9-11(10-14-3)7-8-15-13/h7-9,12,14H,5-6,10H2,1-4H3
InChIKeyGAXALBUVJAFAOJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine

N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine (PubChem CID 62284119) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine
PubChem CID62284119
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1cc(CNC)ccn1
InChIInChI=1S/C13H23N3/c1-5-12(6-2)16(4)13-9-11(10-14-3)7-8-15-13/h7-9,12,14H,5-6,10H2,1-4H3
InChIKeyGAXALBUVJAFAOJ-UHFFFAOYSA-N
XLogP2.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine (CID 62284119) is N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(C)c1cc(CNC)ccn1.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine?
The InChIKey is GAXALBUVJAFAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-12(6-2)16(4)13-9-11(10-14-3)7-8-15-13/h7-9,12,14H,5-6,10H2,1-4H3.
What are the key properties of N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine?
N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 62284119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).