2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine

C12H21N3 — CID 104740128

IUPAC2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine
SMILESCC(C)C(C)CNCc1ncccc1N
InChIInChI=1S/C12H21N3/c1-9(2)10(3)7-14-8-12-11(13)5-4-6-15-12/h4-6,9-10,14H,7-8,13H2,1-3H3
InChIKeyWZLVBYFALIVFNO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.05
Rot. Bonds5

About 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine

2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine (PubChem CID 104740128) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine
PubChem CID104740128
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine
SMILESCC(C)C(C)CNCc1ncccc1N
InChIInChI=1S/C12H21N3/c1-9(2)10(3)7-14-8-12-11(13)5-4-6-15-12/h4-6,9-10,14H,7-8,13H2,1-3H3
InChIKeyWZLVBYFALIVFNO-UHFFFAOYSA-N
XLogP2.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine?
The IUPAC name of 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine (CID 104740128) is 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine is CC(C)C(C)CNCc1ncccc1N.
What is the InChIKey of 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine?
The InChIKey is WZLVBYFALIVFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)10(3)7-14-8-12-11(13)5-4-6-15-12/h4-6,9-10,14H,7-8,13H2,1-3H3.
What are the key properties of 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine?
2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 104740128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).