N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine

C18H24N2O — CID 105147197

IUPACN-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc2ccccc12)C1CCOCC1
InChIInChI=1S/C18H24N2O/c1-2-10-20-18(14-8-12-21-13-9-14)16-7-11-19-17-6-4-3-5-15(16)17/h3-7,11,14,18,20H,2,8-10,12-13H2,1H3
InChIKeyUMJQKNROLWVPIW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.70
Rot. Bonds5

About N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine

N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine (PubChem CID 105147197) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine
PubChem CID105147197
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc2ccccc12)C1CCOCC1
InChIInChI=1S/C18H24N2O/c1-2-10-20-18(14-8-12-21-13-9-14)16-7-11-19-17-6-4-3-5-15(16)17/h3-7,11,14,18,20H,2,8-10,12-13H2,1H3
InChIKeyUMJQKNROLWVPIW-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine
CID 107138702
N-[cyclopropyl(quinolin-4-yl)methyl]ethanamine
CID 105157242
N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147214
N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine
CID 65334716
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
CID 104660281
N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105147199
N-propyl-2-quinolin-4-ylpentan-3-amine
CID 63560165
N-[(3-bromo-2-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855832
N-[(2-bromo-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855854
N-[(3-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856015
N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 65334450

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine (CID 105147197) is N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine is CCCNC(c1ccnc2ccccc12)C1CCOCC1.
What is the InChIKey of N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine?
The InChIKey is UMJQKNROLWVPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-10-20-18(14-8-12-21-13-9-14)16-7-11-19-17-6-4-3-5-15(16)17/h3-7,11,14,18,20H,2,8-10,12-13H2,1H3.
What are the key properties of N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine?
N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105147197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).