5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine

C12H22N2O — CID 165458443

IUPAC5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine
SMILESCOC1CCCC(C2=CC(N)CNC2)C1
InChIInChI=1S/C12H22N2O/c1-15-12-4-2-3-9(6-12)10-5-11(13)8-14-7-10/h5,9,11-12,14H,2-4,6-8,13H2,1H3
InChIKeyVRYATGLTLPDFGY-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.05
Rot. Bonds2

About 5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine

5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 165458443) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID165458443
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine
SMILESCOC1CCCC(C2=CC(N)CNC2)C1
InChIInChI=1S/C12H22N2O/c1-15-12-4-2-3-9(6-12)10-5-11(13)8-14-7-10/h5,9,11-12,14H,2-4,6-8,13H2,1H3
InChIKeyVRYATGLTLPDFGY-UHFFFAOYSA-N
XLogP1.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
CID 160834606
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene
CID 54032409
1-methoxy-2-(3-methoxycyclohexyl)benzene
CID 20692480
5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine
CID 125427182
1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
CID 66201031
azetidine;3-methoxypyrrolidine
CID 143553472
trans-(1S,3S)-3-methoxycyclohexane-1-thiol
CID 146570954
4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine
CID 145312393
1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane
CID 66345792
3-methoxypiperidine;hydrochloride
CID 23142000

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine (CID 165458443) is 5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine is COC1CCCC(C2=CC(N)CNC2)C1.
What is the InChIKey of 5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is VRYATGLTLPDFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-15-12-4-2-3-9(6-12)10-5-11(13)8-14-7-10/h5,9,11-12,14H,2-4,6-8,13H2,1H3.
What are the key properties of 5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine?
5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 165458443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).