6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine

C12H21N3 — CID 155461852

IUPAC6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine
SMILESC[C@H](CNC(C)(C)C)c1cccc(N)n1
InChIInChI=1S/C12H21N3/c1-9(8-14-12(2,3)4)10-6-5-7-11(13)15-10/h5-7,9,14H,8H2,1-4H3,(H2,13,15)/t9-/m1/s1
InChIKeyKMXLKPQAPPVQKY-SECBINFHSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds3

About 6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine

6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine (PubChem CID 155461852) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine
PubChem CID155461852
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine
SMILESC[C@H](CNC(C)(C)C)c1cccc(N)n1
InChIInChI=1S/C12H21N3/c1-9(8-14-12(2,3)4)10-6-5-7-11(13)15-10/h5-7,9,14H,8H2,1-4H3,(H2,13,15)/t9-/m1/s1
InChIKeyKMXLKPQAPPVQKY-SECBINFHSA-N
XLogP2.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine?
The IUPAC name of 6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine (CID 155461852) is 6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine.
What is the SMILES notation for 6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine?
The canonical SMILES for 6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine is C[C@H](CNC(C)(C)C)c1cccc(N)n1.
What is the InChIKey of 6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine?
The InChIKey is KMXLKPQAPPVQKY-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(8-14-12(2,3)4)10-6-5-7-11(13)15-10/h5-7,9,14H,8H2,1-4H3,(H2,13,15)/t9-/m1/s1.
What are the key properties of 6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine?
6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine is sourced from PubChem (CID 155461852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).