1-quinolin-6-ylbutan-1-amine

C13H16N2 — CID 63095616

IUPAC1-quinolin-6-ylbutan-1-amine
SMILESCCCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C13H16N2/c1-2-4-12(14)10-6-7-13-11(9-10)5-3-8-15-13/h3,5-9,12H,2,4,14H2,1H3
InChIKeyIXZCIGNVJNXWQK-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.03
Rot. Bonds3

About 1-quinolin-6-ylbutan-1-amine

1-quinolin-6-ylbutan-1-amine (PubChem CID 63095616) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-quinolin-6-ylbutan-1-amine.

Molecular Properties

Compound Name1-quinolin-6-ylbutan-1-amine
PubChem CID63095616
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-quinolin-6-ylbutan-1-amine
SMILESCCCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C13H16N2/c1-2-4-12(14)10-6-7-13-11(9-10)5-3-8-15-13/h3,5-9,12H,2,4,14H2,1H3
InChIKeyIXZCIGNVJNXWQK-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-quinolin-6-yldecan-1-amine
CID 63418413
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718
2-propylsulfanyl-1-quinolin-6-ylethanamine
CID 81231903
3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724
4-amino-4-quinolin-6-ylbutanoic acid
CID 84693454
3-(2-methylphenyl)-1-quinolin-6-ylpropan-1-amine
CID 105172408
2-propyl-1-quinolin-6-ylpentan-1-ol
CID 115826786
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-6-ylbutan-1-amine?
The IUPAC name of 1-quinolin-6-ylbutan-1-amine (CID 63095616) is 1-quinolin-6-ylbutan-1-amine.
What is the SMILES notation for 1-quinolin-6-ylbutan-1-amine?
The canonical SMILES for 1-quinolin-6-ylbutan-1-amine is CCCC(N)c1ccc2ncccc2c1.
What is the InChIKey of 1-quinolin-6-ylbutan-1-amine?
The InChIKey is IXZCIGNVJNXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-4-12(14)10-6-7-13-11(9-10)5-3-8-15-13/h3,5-9,12H,2,4,14H2,1H3.
What are the key properties of 1-quinolin-6-ylbutan-1-amine?
1-quinolin-6-ylbutan-1-amine has a molecular weight of 200.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-6-ylbutan-1-amine is sourced from PubChem (CID 63095616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).