1-cyclobutyl-3-quinolin-4-ylpropan-2-amine

C16H20N2 — CID 103168915

IUPAC1-cyclobutyl-3-quinolin-4-ylpropan-2-amine
SMILESNC(Cc1ccnc2ccccc12)CC1CCC1
InChIInChI=1S/C16H20N2/c17-14(10-12-4-3-5-12)11-13-8-9-18-16-7-2-1-6-15(13)16/h1-2,6-9,12,14H,3-5,10-11,17H2
InChIKeyBMOYUHRETNHZSI-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.29
Rot. Bonds4

About 1-cyclobutyl-3-quinolin-4-ylpropan-2-amine

1-cyclobutyl-3-quinolin-4-ylpropan-2-amine (PubChem CID 103168915) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-cyclobutyl-3-quinolin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-quinolin-4-ylpropan-2-amine
PubChem CID103168915
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-cyclobutyl-3-quinolin-4-ylpropan-2-amine
SMILESNC(Cc1ccnc2ccccc12)CC1CCC1
InChIInChI=1S/C16H20N2/c17-14(10-12-4-3-5-12)11-13-8-9-18-16-7-2-1-6-15(13)16/h1-2,6-9,12,14H,3-5,10-11,17H2
InChIKeyBMOYUHRETNHZSI-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-3-quinolin-4-ylpropan-2-ol
CID 115812509
1-cyclopropyl-2-quinolin-4-ylethanol
CID 63353390
(3-cyclopropyl-1-quinolin-4-ylbutan-2-yl)hydrazine
CID 105316345
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
2-quinolin-4-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104997388
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
N-methyl-1-(2-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 107189504
[1-(2,2-dimethylcyclopentyl)-2-quinolin-4-ylethyl]hydrazine
CID 107194203
2-cyclopentyl-1-isoquinolin-1-ylethanamine
CID 63950469
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915
1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone
CID 92534411
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-ol
CID 103547520

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-quinolin-4-ylpropan-2-amine?
The IUPAC name of 1-cyclobutyl-3-quinolin-4-ylpropan-2-amine (CID 103168915) is 1-cyclobutyl-3-quinolin-4-ylpropan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-quinolin-4-ylpropan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-quinolin-4-ylpropan-2-amine is NC(Cc1ccnc2ccccc12)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-quinolin-4-ylpropan-2-amine?
The InChIKey is BMOYUHRETNHZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-14(10-12-4-3-5-12)11-13-8-9-18-16-7-2-1-6-15(13)16/h1-2,6-9,12,14H,3-5,10-11,17H2.
What are the key properties of 1-cyclobutyl-3-quinolin-4-ylpropan-2-amine?
1-cyclobutyl-3-quinolin-4-ylpropan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-quinolin-4-ylpropan-2-amine is sourced from PubChem (CID 103168915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).