(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine

C15H24N2O — CID 114248487

IUPAC(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccnc(OCC2CCCCCC2)c1
InChIInChI=1S/C15H24N2O/c1-12(16)14-8-9-17-15(10-14)18-11-13-6-4-2-3-5-7-13/h8-10,12-13H,2-7,11,16H2,1H3/t12-/m1/s1
InChIKeyWMJHCOIQRMIMOF-GFCCVEGCSA-N
MW248.37 g/mol
LogP3.45
Rot. Bonds4

About (1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine

(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine (PubChem CID 114248487) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine
PubChem CID114248487
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccnc(OCC2CCCCCC2)c1
InChIInChI=1S/C15H24N2O/c1-12(16)14-8-9-17-15(10-14)18-11-13-6-4-2-3-5-7-13/h8-10,12-13H,2-7,11,16H2,1H3/t12-/m1/s1
InChIKeyWMJHCOIQRMIMOF-GFCCVEGCSA-N
XLogP3.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Florbetapir F-18
CID 24822371
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
CID 57396865
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
4-Phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983456
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
(2-Methoxypyridin-4-yl)methanamine
CID 16227983
2-(Benzyloxy)pyridine
CID 295859
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine (CID 114248487) is (1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine is C[C@@H](N)c1ccnc(OCC2CCCCCC2)c1.
What is the InChIKey of (1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine?
The InChIKey is WMJHCOIQRMIMOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(16)14-8-9-17-15(10-14)18-11-13-6-4-2-3-5-7-13/h8-10,12-13H,2-7,11,16H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine?
(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine is sourced from PubChem (CID 114248487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).