3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine

C13H23N3 — CID 103096852

IUPAC3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCCCC(CC)Nc1cccnc1N(C)C
InChIInChI=1S/C13H23N3/c1-5-8-11(6-2)15-12-9-7-10-14-13(12)16(3)4/h7,9-11,15H,5-6,8H2,1-4H3
InChIKeyFAXUJTOUYREIPE-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.14
Rot. Bonds6

About 3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 103096852) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID103096852
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCCCC(CC)Nc1cccnc1N(C)C
InChIInChI=1S/C13H23N3/c1-5-8-11(6-2)15-12-9-7-10-14-13(12)16(3)4/h7,9-11,15H,5-6,8H2,1-4H3
InChIKeyFAXUJTOUYREIPE-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine (CID 103096852) is 3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine is CCCC(CC)Nc1cccnc1N(C)C.
What is the InChIKey of 3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is FAXUJTOUYREIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-8-11(6-2)15-12-9-7-10-14-13(12)16(3)4/h7,9-11,15H,5-6,8H2,1-4H3.
What are the key properties of 3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 103096852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).