N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine

C16H20N2O2 — CID 81427887

IUPACN-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine
SMILESc1cnc2c(CCNCC3CCOCO3)cccc2c1
InChIInChI=1S/C16H20N2O2/c1-3-13-5-2-8-18-16(13)14(4-1)6-9-17-11-15-7-10-19-12-20-15/h1-5,8,15,17H,6-7,9-12H2
InChIKeyNLXIWEHLLKQSSC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.13
Rot. Bonds5

About N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine

N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine (PubChem CID 81427887) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine
PubChem CID81427887
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine
SMILESc1cnc2c(CCNCC3CCOCO3)cccc2c1
InChIInChI=1S/C16H20N2O2/c1-3-13-5-2-8-18-16(13)14(4-1)6-9-17-11-15-7-10-19-12-20-15/h1-5,8,15,17H,6-7,9-12H2
InChIKeyNLXIWEHLLKQSSC-UHFFFAOYSA-N
XLogP2.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine
CID 81102042
N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine
CID 81428081
N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine
CID 51086137
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 81426993
1-cyclopropyl-N-(2-quinolin-8-ylethyl)ethanamine
CID 79692541
N-(2-quinolin-8-ylethyl)thian-4-amine
CID 112727581
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
trans-(1R,2R)-2-(2-quinolin-8-ylethylamino)cyclopentan-1-ol
CID 102733860
2,6-dimethyl-N-(2-quinolin-8-ylethyl)cyclohexan-1-amine
CID 81428785

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine (CID 81427887) is N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine is c1cnc2c(CCNCC3CCOCO3)cccc2c1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine?
The InChIKey is NLXIWEHLLKQSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-13-5-2-8-18-16(13)14(4-1)6-9-17-11-15-7-10-19-12-20-15/h1-5,8,15,17H,6-7,9-12H2.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine?
N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine is sourced from PubChem (CID 81427887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).