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

C11H19N3 — CID 43707987

IUPAC3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCCCCNc1cccnc1N(C)C
InChIInChI=1S/C11H19N3/c1-4-5-8-12-10-7-6-9-13-11(10)14(2)3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyJVRMBGJUKIRVAL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.36
Rot. Bonds5

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

3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 43707987) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID43707987
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCCCCNc1cccnc1N(C)C
InChIInChI=1S/C11H19N3/c1-4-5-8-12-10-7-6-9-13-11(10)14(2)3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyJVRMBGJUKIRVAL-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine (CID 43707987) is 3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine is CCCCNc1cccnc1N(C)C.
What is the InChIKey of 3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is JVRMBGJUKIRVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-8-12-10-7-6-9-13-11(10)14(2)3/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of 3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 193.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 43707987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).