N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine

C18H24N2O — CID 116714645

IUPACN-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine
SMILESCCNC(c1ccc2nc(C)ccc2c1)C1(OC)CCC1
InChIInChI=1S/C18H24N2O/c1-4-19-17(18(21-3)10-5-11-18)15-8-9-16-14(12-15)7-6-13(2)20-16/h6-9,12,17,19H,4-5,10-11H2,1-3H3
InChIKeyYGJCDAKPJPAIQV-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.76
Rot. Bonds5

About N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine

N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine (PubChem CID 116714645) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine
PubChem CID116714645
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine
SMILESCCNC(c1ccc2nc(C)ccc2c1)C1(OC)CCC1
InChIInChI=1S/C18H24N2O/c1-4-19-17(18(21-3)10-5-11-18)15-8-9-16-14(12-15)7-6-13(2)20-16/h6-9,12,17,19H,4-5,10-11H2,1-3H3
InChIKeyYGJCDAKPJPAIQV-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
N-[(1-methoxycyclobutyl)-quinolin-6-ylmethyl]propan-1-amine
CID 116714935
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714561
N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
methyl 2-(ethylamino)-2-(2-methylquinolin-6-yl)acetate
CID 105378902
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 116714647
(4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol
CID 116753998
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105172283

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine (CID 116714645) is N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine is CCNC(c1ccc2nc(C)ccc2c1)C1(OC)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine?
The InChIKey is YGJCDAKPJPAIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-19-17(18(21-3)10-5-11-18)15-8-9-16-14(12-15)7-6-13(2)20-16/h6-9,12,17,19H,4-5,10-11H2,1-3H3.
What are the key properties of N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine?
N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 116714645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).