3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine

C16H29N3 — CID 61175355

IUPAC3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine
SMILESCCCCN(CCCC)c1nc(C)cc(C)c1CN
InChIInChI=1S/C16H29N3/c1-5-7-9-19(10-8-6-2)16-15(12-17)13(3)11-14(4)18-16/h11H,5-10,12,17H2,1-4H3
InChIKeyQIKAUHUOPXEOOH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.56
Rot. Bonds8

About 3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine

3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine (PubChem CID 61175355) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine
PubChem CID61175355
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine
SMILESCCCCN(CCCC)c1nc(C)cc(C)c1CN
InChIInChI=1S/C16H29N3/c1-5-7-9-19(10-8-6-2)16-15(12-17)13(3)11-14(4)18-16/h11H,5-10,12,17H2,1-4H3
InChIKeyQIKAUHUOPXEOOH-UHFFFAOYSA-N
XLogP3.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine (CID 61175355) is 3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine is CCCCN(CCCC)c1nc(C)cc(C)c1CN.
What is the InChIKey of 3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine?
The InChIKey is QIKAUHUOPXEOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-7-9-19(10-8-6-2)16-15(12-17)13(3)11-14(4)18-16/h11H,5-10,12,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine?
3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 61175355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).