2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide

C17H27N3O — CID 63219148

IUPAC2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1c2ccccc2CCC1CN
InChIInChI=1S/C17H27N3O/c1-13(2)9-10-19-17(21)12-20-15(11-18)8-7-14-5-3-4-6-16(14)20/h3-6,13,15H,7-12,18H2,1-2H3,(H,19,21)
InChIKeyFQXNZTHGLUJBDH-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.93
Rot. Bonds6

About 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide

2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 63219148) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID63219148
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1c2ccccc2CCC1CN
InChIInChI=1S/C17H27N3O/c1-13(2)9-10-19-17(21)12-20-15(11-18)8-7-14-5-3-4-6-16(14)20/h3-6,13,15H,7-12,18H2,1-2H3,(H,19,21)
InChIKeyFQXNZTHGLUJBDH-UHFFFAOYSA-N
XLogP1.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide (CID 63219148) is 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN1c2ccccc2CCC1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is FQXNZTHGLUJBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)9-10-19-17(21)12-20-15(11-18)8-7-14-5-3-4-6-16(14)20/h3-6,13,15H,7-12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide?
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 63219148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).