4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine

C11H19N3 — CID 104827419

IUPAC4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine
SMILESCC(Nc1ccncc1N)C(C)(C)C
InChIInChI=1S/C11H19N3/c1-8(11(2,3)4)14-10-5-6-13-7-9(10)12/h5-8H,12H2,1-4H3,(H,13,14)
InChIKeySVPLJRBDGBXQOR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds2

About 4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine

4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine (PubChem CID 104827419) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine
PubChem CID104827419
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine
SMILESCC(Nc1ccncc1N)C(C)(C)C
InChIInChI=1S/C11H19N3/c1-8(11(2,3)4)14-10-5-6-13-7-9(10)12/h5-8H,12H2,1-4H3,(H,13,14)
InChIKeySVPLJRBDGBXQOR-UHFFFAOYSA-N
XLogP2.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(3,3-dimethylbutan-2-yl)isoquinoline-5,8-diamine
CID 104827477
4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine
CID 130481643
2-N-(3,3-dimethylbutan-2-yl)benzene-1,2-diamine
CID 104827391
4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine
CID 63926910
4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine
CID 64630420
4-N-[1-(4-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54965311
4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707
1-N-(3,3-dimethylbutan-2-yl)-4-iodobenzene-1,2-diamine
CID 104827380
4-[(3-amino-4-pyridinyl)amino]butan-2-ol
CID 64928058
4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
CID 61469011
4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 54964841
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine (CID 104827419) is 4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine is CC(Nc1ccncc1N)C(C)(C)C.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine?
The InChIKey is SVPLJRBDGBXQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(11(2,3)4)14-10-5-6-13-7-9(10)12/h5-8H,12H2,1-4H3,(H,13,14).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine?
4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine has a molecular weight of 193.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine is sourced from PubChem (CID 104827419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).