(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H21N3 — CID 129374539

IUPAC(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@@H]1CC(NCc1ccncc1)C2
InChIInChI=1S/C14H21N3/c1-17-13-2-3-14(17)9-12(8-13)16-10-11-4-6-15-7-5-11/h4-7,12-14,16H,2-3,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyMHLIXRSHBGDEJK-ZIAGYGMSSA-N
MW231.34 g/mol
LogP1.80
Rot. Bonds3

About (1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 129374539) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID129374539
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@@H]1CC(NCc1ccncc1)C2
InChIInChI=1S/C14H21N3/c1-17-13-2-3-14(17)9-12(8-13)16-10-11-4-6-15-7-5-11/h4-7,12-14,16H,2-3,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyMHLIXRSHBGDEJK-ZIAGYGMSSA-N
XLogP1.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 129374539) is (1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is CN1[C@@H]2CC[C@@H]1CC(NCc1ccncc1)C2.
What is the InChIKey of (1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MHLIXRSHBGDEJK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21N3/c1-17-13-2-3-14(17)9-12(8-13)16-10-11-4-6-15-7-5-11/h4-7,12-14,16H,2-3,8-10H2,1H3/t13-,14-/m1/s1.
What are the key properties of (1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 231.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 129374539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).