3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine

C17H24N2 — CID 81222494

IUPAC3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1ccc2cccnc2c1
InChIInChI=1S/C17H24N2/c1-13(2)18-11-9-17(3,4)15-8-7-14-6-5-10-19-16(14)12-15/h5-8,10,12-13,18H,9,11H2,1-4H3
InChIKeyRVDQQZBWJSSIDW-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.90
Rot. Bonds5

About 3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine

3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine (PubChem CID 81222494) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine
PubChem CID81222494
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1ccc2cccnc2c1
InChIInChI=1S/C17H24N2/c1-13(2)18-11-9-17(3,4)15-8-7-14-6-5-10-19-16(14)12-15/h5-8,10,12-13,18H,9,11H2,1-4H3
InChIKeyRVDQQZBWJSSIDW-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine (CID 81222494) is 3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine is CC(C)NCCC(C)(C)c1ccc2cccnc2c1.
What is the InChIKey of 3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine?
The InChIKey is RVDQQZBWJSSIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)18-11-9-17(3,4)15-8-7-14-6-5-10-19-16(14)12-15/h5-8,10,12-13,18H,9,11H2,1-4H3.
What are the key properties of 3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine?
3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine is sourced from PubChem (CID 81222494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).