2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine

C14H20N4 — CID 172575571

IUPAC2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine
SMILESCN1C[C@H]2C[C@@H]1CN2c1ccc(N)c(C2CC2)n1
InChIInChI=1S/C14H20N4/c1-17-7-11-6-10(17)8-18(11)13-5-4-12(15)14(16-13)9-2-3-9/h4-5,9-11H,2-3,6-8,15H2,1H3/t10-,11-/m1/s1
InChIKeyPFEMPQFVJYEODW-GHMZBOCLSA-N
MW244.34 g/mol
LogP1.43
Rot. Bonds2

About 2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine

2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine (PubChem CID 172575571) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine
PubChem CID172575571
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine
SMILESCN1C[C@H]2C[C@@H]1CN2c1ccc(N)c(C2CC2)n1
InChIInChI=1S/C14H20N4/c1-17-7-11-6-10(17)8-18(11)13-5-4-12(15)14(16-13)9-2-3-9/h4-5,9-11H,2-3,6-8,15H2,1H3/t10-,11-/m1/s1
InChIKeyPFEMPQFVJYEODW-GHMZBOCLSA-N
XLogP1.43
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine?
The IUPAC name of 2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine (CID 172575571) is 2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine.
What is the SMILES notation for 2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine?
The canonical SMILES for 2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine is CN1C[C@H]2C[C@@H]1CN2c1ccc(N)c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine?
The InChIKey is PFEMPQFVJYEODW-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H20N4/c1-17-7-11-6-10(17)8-18(11)13-5-4-12(15)14(16-13)9-2-3-9/h4-5,9-11H,2-3,6-8,15H2,1H3/t10-,11-/m1/s1.
What are the key properties of 2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine?
2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine has a molecular weight of 244.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine is sourced from PubChem (CID 172575571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).