1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine

C15H24N2 — CID 54957573

IUPAC1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESCC(C)(C)CCN1CCCc2cc(N)ccc21
InChIInChI=1S/C15H24N2/c1-15(2,3)8-10-17-9-4-5-12-11-13(16)6-7-14(12)17/h6-7,11H,4-5,8-10,16H2,1-3H3
InChIKeyDSTFEXAQGZDXJP-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.46
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine

1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 54957573) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
PubChem CID54957573
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESCC(C)(C)CCN1CCCc2cc(N)ccc21
InChIInChI=1S/C15H24N2/c1-15(2,3)8-10-17-9-4-5-12-11-13(16)6-7-14(12)17/h6-7,11H,4-5,8-10,16H2,1-3H3
InChIKeyDSTFEXAQGZDXJP-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine (CID 54957573) is 1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine is CC(C)(C)CCN1CCCc2cc(N)ccc21.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is DSTFEXAQGZDXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,3)8-10-17-9-4-5-12-11-13(16)6-7-14(12)17/h6-7,11H,4-5,8-10,16H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine?
1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 232.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 54957573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).