N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine

C18H19N3 — CID 81209832

IUPACN-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1cccc2cccnc12
InChIInChI=1S/C18H19N3/c1-2-10-20-18(15-8-4-11-19-13-15)16-9-3-6-14-7-5-12-21-17(14)16/h3-9,11-13,18,20H,2,10H2,1H3
InChIKeyJTDHHRDKDKFXBR-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.72
Rot. Bonds5

About N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine

N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine (PubChem CID 81209832) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
PubChem CID81209832
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1cccc2cccnc12
InChIInChI=1S/C18H19N3/c1-2-10-20-18(15-8-4-11-19-13-15)16-9-3-6-14-7-5-12-21-17(14)16/h3-9,11-13,18,20H,2,10H2,1H3
InChIKeyJTDHHRDKDKFXBR-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183
N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 62791362
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 105155523
N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105172512
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177
N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine
CID 105098192
N-[isoquinolin-8-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 103137707
N-[(4-bromothiophen-2-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 81228406
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
N-(2-methoxy-1-quinolin-8-ylethyl)propan-1-amine
CID 81231808
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine?
The IUPAC name of N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine (CID 81209832) is N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine?
The canonical SMILES for N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine is CCCNC(c1cccnc1)c1cccc2cccnc12.
What is the InChIKey of N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine?
The InChIKey is JTDHHRDKDKFXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-10-20-18(15-8-4-11-19-13-15)16-9-3-6-14-7-5-12-21-17(14)16/h3-9,11-13,18,20H,2,10H2,1H3.
What are the key properties of N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine?
N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine is sourced from PubChem (CID 81209832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).