N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine

C15H18N2O — CID 78957176

IUPACN-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine
SMILESCC1(CNCc2cccc3cccnc23)COC1
InChIInChI=1S/C15H18N2O/c1-15(10-18-11-15)9-16-8-13-5-2-4-12-6-3-7-17-14(12)13/h2-7,16H,8-11H2,1H3
InChIKeyWJYRFZFCONOJIP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.36
Rot. Bonds4

About N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine

N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine (PubChem CID 78957176) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine
PubChem CID78957176
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine
SMILESCC1(CNCc2cccc3cccnc23)COC1
InChIInChI=1S/C15H18N2O/c1-15(10-18-11-15)9-16-8-13-5-2-4-12-6-3-7-17-14(12)13/h2-7,16H,8-11H2,1H3
InChIKeyWJYRFZFCONOJIP-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine
CID 81428081
N-[(1-methylcyclopentyl)methyl]-1-quinolin-8-ylmethanamine
CID 63821632
N,N-dimethyl-1-[(quinolin-8-ylmethylamino)methyl]cyclobutan-1-amine
CID 105415743
N-[(1-cyclopropylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine
CID 103838629
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2,2,5,5-tetramethyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 81333756
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
N-(quinolin-8-ylmethyl)aniline
CID 28610045

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine (CID 78957176) is N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine is CC1(CNCc2cccc3cccnc23)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine?
The InChIKey is WJYRFZFCONOJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(10-18-11-15)9-16-8-13-5-2-4-12-6-3-7-17-14(12)13/h2-7,16H,8-11H2,1H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine?
N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 78957176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).