6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine

C15H27N5 — CID 54587788

IUPAC6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine
SMILESCN[C@@H]1CCN(c2cc(N)nc(NCC(C)(C)C)c2)C1
InChIInChI=1S/C15H27N5/c1-15(2,3)10-18-14-8-12(7-13(16)19-14)20-6-5-11(9-20)17-4/h7-8,11,17H,5-6,9-10H2,1-4H3,(H3,16,18,19)/t11-/m1/s1
InChIKeyBEYCZAXPXQZGCU-LLVKDONJSA-N
MW277.42 g/mol
LogP1.92
Rot. Bonds4

About 6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine

6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine (PubChem CID 54587788) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine
PubChem CID54587788
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine
SMILESCN[C@@H]1CCN(c2cc(N)nc(NCC(C)(C)C)c2)C1
InChIInChI=1S/C15H27N5/c1-15(2,3)10-18-14-8-12(7-13(16)19-14)20-6-5-11(9-20)17-4/h7-8,11,17H,5-6,9-10H2,1-4H3,(H3,16,18,19)/t11-/m1/s1
InChIKeyBEYCZAXPXQZGCU-LLVKDONJSA-N
XLogP1.92
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
The IUPAC name of 6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine (CID 54587788) is 6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine is CN[C@@H]1CCN(c2cc(N)nc(NCC(C)(C)C)c2)C1.
What is the InChIKey of 6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
The InChIKey is BEYCZAXPXQZGCU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H27N5/c1-15(2,3)10-18-14-8-12(7-13(16)19-14)20-6-5-11(9-20)17-4/h7-8,11,17H,5-6,9-10H2,1-4H3,(H3,16,18,19)/t11-/m1/s1.
What are the key properties of 6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine is sourced from PubChem (CID 54587788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).