5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine

C15H23N3 — CID 55046361

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine
SMILESNc1ccc(CN2CCC3CCCCC3C2)cn1
InChIInChI=1S/C15H23N3/c16-15-6-5-12(9-17-15)10-18-8-7-13-3-1-2-4-14(13)11-18/h5-6,9,13-14H,1-4,7-8,10-11H2,(H2,16,17)
InChIKeyFDBXGZHNKPDMQZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.68
Rot. Bonds2

About 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine

5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine (PubChem CID 55046361) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine
PubChem CID55046361
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine
SMILESNc1ccc(CN2CCC3CCCCC3C2)cn1
InChIInChI=1S/C15H23N3/c16-15-6-5-12(9-17-15)10-18-8-7-13-3-1-2-4-14(13)11-18/h5-6,9,13-14H,1-4,7-8,10-11H2,(H2,16,17)
InChIKeyFDBXGZHNKPDMQZ-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine with MolForge

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Related Compounds

1-[(6-amino-3-pyridinyl)methyl]piperidin-3-ol
CID 62207915
[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 62177163
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)phenol
CID 82973359
[1-[(6-amino-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 62176467
5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridin-2-amine
CID 104870271
5-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62206657
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)benzenecarbothioamide
CID 43620397
5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 143896367
5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633712
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]aniline
CID 124746618
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
5-(4-cyclohexylpiperidin-1-yl)pyridin-2-amine
CID 165041944

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine (CID 55046361) is 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine is Nc1ccc(CN2CCC3CCCCC3C2)cn1.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine?
The InChIKey is FDBXGZHNKPDMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-15-6-5-12(9-17-15)10-18-8-7-13-3-1-2-4-14(13)11-18/h5-6,9,13-14H,1-4,7-8,10-11H2,(H2,16,17).
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine?
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 55046361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).