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

C17H24N2 — CID 81222762

IUPAC2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)c1ccc2cccnc2c1
InChIInChI=1S/C17H24N2/c1-12(2)19-11-13(3)14(4)16-8-7-15-6-5-9-18-17(15)10-16/h5-10,12-14,19H,11H2,1-4H3
InChIKeyLBKBBNOXLWUYGW-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.97
Rot. Bonds5

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

2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine (PubChem CID 81222762) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine
PubChem CID81222762
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)c1ccc2cccnc2c1
InChIInChI=1S/C17H24N2/c1-12(2)19-11-13(3)14(4)16-8-7-15-6-5-9-18-17(15)10-16/h5-10,12-14,19H,11H2,1-4H3
InChIKeyLBKBBNOXLWUYGW-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine (CID 81222762) is 2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine is CC(C)NCC(C)C(C)c1ccc2cccnc2c1.
What is the InChIKey of 2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine?
The InChIKey is LBKBBNOXLWUYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12(2)19-11-13(3)14(4)16-8-7-15-6-5-9-18-17(15)10-16/h5-10,12-14,19H,11H2,1-4H3.
What are the key properties of 2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine?
2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine is sourced from PubChem (CID 81222762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).