N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

C15H26N4 — CID 164636978

IUPACN-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCN(CCc1cnn(C)c1)CCN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C15H26N4/c1-17(6-5-14-10-16-18(2)11-14)7-8-19-12-13-3-4-15(19)9-13/h10-11,13,15H,3-9,12H2,1-2H3/t13-,15+/m1/s1
InChIKeyBGUVKIYIBXQYDI-HIFRSBDPSA-N
MW262.40 g/mol
LogP1.38
Rot. Bonds6

About N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 164636978) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID164636978
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCN(CCc1cnn(C)c1)CCN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C15H26N4/c1-17(6-5-14-10-16-18(2)11-14)7-8-19-12-13-3-4-15(19)9-13/h10-11,13,15H,3-9,12H2,1-2H3/t13-,15+/m1/s1
InChIKeyBGUVKIYIBXQYDI-HIFRSBDPSA-N
XLogP1.38
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 164636978) is N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is CN(CCc1cnn(C)c1)CCN1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is BGUVKIYIBXQYDI-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H26N4/c1-17(6-5-14-10-16-18(2)11-14)7-8-19-12-13-3-4-15(19)9-13/h10-11,13,15H,3-9,12H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 164636978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).