(1-methoxycycloheptyl)-quinolin-5-ylmethanamine

C18H24N2O — CID 116769844

IUPAC(1-methoxycycloheptyl)-quinolin-5-ylmethanamine
SMILESCOC1(C(N)c2cccc3ncccc23)CCCCCC1
InChIInChI=1S/C18H24N2O/c1-21-18(11-4-2-3-5-12-18)17(19)15-8-6-10-16-14(15)9-7-13-20-16/h6-10,13,17H,2-5,11-12,19H2,1H3
InChIKeyFXCSLIVCOFRTPZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.97
Rot. Bonds3

About (1-methoxycycloheptyl)-quinolin-5-ylmethanamine

(1-methoxycycloheptyl)-quinolin-5-ylmethanamine (PubChem CID 116769844) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-quinolin-5-ylmethanamine
PubChem CID116769844
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1-methoxycycloheptyl)-quinolin-5-ylmethanamine
SMILESCOC1(C(N)c2cccc3ncccc23)CCCCCC1
InChIInChI=1S/C18H24N2O/c1-21-18(11-4-2-3-5-12-18)17(19)15-8-6-10-16-14(15)9-7-13-20-16/h6-10,13,17H,2-5,11-12,19H2,1H3
InChIKeyFXCSLIVCOFRTPZ-UHFFFAOYSA-N
XLogP3.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-quinolin-5-ylethanamine
CID 55277010
isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
(1-methoxycyclopentyl)-quinolin-6-ylmethanamine
CID 104610565
(2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769975
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine
CID 103028668
(5-methylpyrazin-2-yl)-quinolin-5-ylmethanamine
CID 105171984
3-cyclopentyl-1-quinolin-5-ylpropan-1-amine
CID 105020216
4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092
(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol
CID 114269925
3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
CID 116769953
(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105174775
1-quinolin-5-ylethane-1,2-diamine
CID 55275195

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-quinolin-5-ylmethanamine?
The IUPAC name of (1-methoxycycloheptyl)-quinolin-5-ylmethanamine (CID 116769844) is (1-methoxycycloheptyl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (1-methoxycycloheptyl)-quinolin-5-ylmethanamine?
The canonical SMILES for (1-methoxycycloheptyl)-quinolin-5-ylmethanamine is COC1(C(N)c2cccc3ncccc23)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-quinolin-5-ylmethanamine?
The InChIKey is FXCSLIVCOFRTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-21-18(11-4-2-3-5-12-18)17(19)15-8-6-10-16-14(15)9-7-13-20-16/h6-10,13,17H,2-5,11-12,19H2,1H3.
What are the key properties of (1-methoxycycloheptyl)-quinolin-5-ylmethanamine?
(1-methoxycycloheptyl)-quinolin-5-ylmethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 116769844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).