N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine

C18H24N2O — CID 65334716

IUPACN-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)C1CCOCC1
InChIInChI=1S/C18H24N2O/c1-2-9-19-18(14-7-10-21-11-8-14)16-12-15-5-3-4-6-17(15)20-13-16/h3-6,12-14,18-19H,2,7-11H2,1H3
InChIKeyVJWKDBRBAVCREJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.70
Rot. Bonds5

About N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine

N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine (PubChem CID 65334716) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine
PubChem CID65334716
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)C1CCOCC1
InChIInChI=1S/C18H24N2O/c1-2-9-19-18(14-7-10-21-11-8-14)16-12-15-5-3-4-6-17(15)20-13-16/h3-6,12-14,18-19H,2,7-11H2,1H3
InChIKeyVJWKDBRBAVCREJ-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

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Related Compounds

N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine
CID 65330638
N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine
CID 115797726
[oxolan-3-yl(quinolin-3-yl)methyl]hydrazine
CID 105229396
N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine
CID 105147197
N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105147199
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807
2-methyl-N-propyl-1-quinolin-3-ylpropan-1-amine
CID 54861221
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[(5-bromofuran-2-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 115797770
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
N-[(3-bromo-4-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856010
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine (CID 65334716) is N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine is CCCNC(c1cnc2ccccc2c1)C1CCOCC1.
What is the InChIKey of N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine?
The InChIKey is VJWKDBRBAVCREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-9-19-18(14-7-10-21-11-8-14)16-12-15-5-3-4-6-17(15)20-13-16/h3-6,12-14,18-19H,2,7-11H2,1H3.
What are the key properties of N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine?
N-[oxan-4-yl(quinolin-3-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-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65334716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).