3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine

C12H21N3 — CID 104540178

IUPAC3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine
SMILESCC(N(C)c1cccnc1N)C(C)(C)C
InChIInChI=1S/C12H21N3/c1-9(12(2,3)4)15(5)10-7-6-8-14-11(10)13/h6-9H,1-5H3,(H2,13,14)
InChIKeyRPDHMKKYKPOLFP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.53
Rot. Bonds2

About 3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine

3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine (PubChem CID 104540178) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine
PubChem CID104540178
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine
SMILESCC(N(C)c1cccnc1N)C(C)(C)C
InChIInChI=1S/C12H21N3/c1-9(12(2,3)4)15(5)10-7-6-8-14-11(10)13/h6-9H,1-5H3,(H2,13,14)
InChIKeyRPDHMKKYKPOLFP-UHFFFAOYSA-N
XLogP2.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine?
The IUPAC name of 3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine (CID 104540178) is 3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine?
The canonical SMILES for 3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine is CC(N(C)c1cccnc1N)C(C)(C)C.
What is the InChIKey of 3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine?
The InChIKey is RPDHMKKYKPOLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(12(2,3)4)15(5)10-7-6-8-14-11(10)13/h6-9H,1-5H3,(H2,13,14).
What are the key properties of 3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine?
3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 104540178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).