N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine

C12H21N3 — CID 62279559

IUPACN-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCNCc1ccc(N(C)CC(C)C)nc1
InChIInChI=1S/C12H21N3/c1-10(2)9-15(4)12-6-5-11(7-13-3)8-14-12/h5-6,8,10,13H,7,9H2,1-4H3
InChIKeyPKLREURUSIXPEY-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.89
Rot. Bonds5

About N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine

N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 62279559) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
PubChem CID62279559
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCNCc1ccc(N(C)CC(C)C)nc1
InChIInChI=1S/C12H21N3/c1-10(2)9-15(4)12-6-5-11(7-13-3)8-14-12/h5-6,8,10,13H,7,9H2,1-4H3
InChIKeyPKLREURUSIXPEY-UHFFFAOYSA-N
XLogP1.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine (CID 62279559) is N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine is CNCc1ccc(N(C)CC(C)C)nc1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is PKLREURUSIXPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)9-15(4)12-6-5-11(7-13-3)8-14-12/h5-6,8,10,13H,7,9H2,1-4H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 62279559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).