(2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine

C12H19N3 — CID 164638732

IUPAC(2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine
SMILESc1cc(CN[C@H]2CC3CCC2CC3)[nH]n1
InChIInChI=1S/C12H19N3/c1-3-10-4-2-9(1)7-12(10)13-8-11-5-6-14-15-11/h5-6,9-10,12-13H,1-4,7-8H2,(H,14,15)/t9?,10?,12-/m0/s1
InChIKeySBMNPEJDAYGYFA-CBINBANVSA-N
MW205.30 g/mol
LogP2.08
Rot. Bonds3

About (2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine

(2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine (PubChem CID 164638732) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine.

Molecular Properties

Compound Name(2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine
PubChem CID164638732
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine
SMILESc1cc(CN[C@H]2CC3CCC2CC3)[nH]n1
InChIInChI=1S/C12H19N3/c1-3-10-4-2-9(1)7-12(10)13-8-11-5-6-14-15-11/h5-6,9-10,12-13H,1-4,7-8H2,(H,14,15)/t9?,10?,12-/m0/s1
InChIKeySBMNPEJDAYGYFA-CBINBANVSA-N
XLogP2.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine?
The IUPAC name of (2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine (CID 164638732) is (2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine.
What is the SMILES notation for (2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine?
The canonical SMILES for (2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine is c1cc(CN[C@H]2CC3CCC2CC3)[nH]n1.
What is the InChIKey of (2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine?
The InChIKey is SBMNPEJDAYGYFA-CBINBANVSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-10-4-2-9(1)7-12(10)13-8-11-5-6-14-15-11/h5-6,9-10,12-13H,1-4,7-8H2,(H,14,15)/t9?,10?,12-/m0/s1.
What are the key properties of (2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine?
(2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine is sourced from PubChem (CID 164638732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).