2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine

C11H19N3 — CID 66279285

IUPAC2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine
SMILESCCCCN(C)c1ncc(C)cc1N
InChIInChI=1S/C11H19N3/c1-4-5-6-14(3)11-10(12)7-9(2)8-13-11/h7-8H,4-6,12H2,1-3H3
InChIKeyKIGHVRCXLMWHAP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.21
Rot. Bonds4

About 2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine

2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine (PubChem CID 66279285) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine
PubChem CID66279285
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine
SMILESCCCCN(C)c1ncc(C)cc1N
InChIInChI=1S/C11H19N3/c1-4-5-6-14(3)11-10(12)7-9(2)8-13-11/h7-8H,4-6,12H2,1-3H3
InChIKeyKIGHVRCXLMWHAP-UHFFFAOYSA-N
XLogP2.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine?
The IUPAC name of 2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine (CID 66279285) is 2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine?
The canonical SMILES for 2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine is CCCCN(C)c1ncc(C)cc1N.
What is the InChIKey of 2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine?
The InChIKey is KIGHVRCXLMWHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-6-14(3)11-10(12)7-9(2)8-13-11/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine?
2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine has a molecular weight of 193.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 66279285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).