3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine

C13H23N3O — CID 62983904

IUPAC3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine
SMILESCOCCCN(C)c1nc(C)cc(C)c1CN
InChIInChI=1S/C13H23N3O/c1-10-8-11(2)15-13(12(10)9-14)16(3)6-5-7-17-4/h8H,5-7,9,14H2,1-4H3
InChIKeyCAHIGCXISHHGDP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.63
Rot. Bonds6

About 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine

3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine (PubChem CID 62983904) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine
PubChem CID62983904
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine
SMILESCOCCCN(C)c1nc(C)cc(C)c1CN
InChIInChI=1S/C13H23N3O/c1-10-8-11(2)15-13(12(10)9-14)16(3)6-5-7-17-4/h8H,5-7,9,14H2,1-4H3
InChIKeyCAHIGCXISHHGDP-UHFFFAOYSA-N
XLogP1.63
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine (CID 62983904) is 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine is COCCCN(C)c1nc(C)cc(C)c1CN.
What is the InChIKey of 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine?
The InChIKey is CAHIGCXISHHGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-8-11(2)15-13(12(10)9-14)16(3)6-5-7-17-4/h8H,5-7,9,14H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine?
3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine is sourced from PubChem (CID 62983904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).