1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine

C14H22N2 — CID 170315346

IUPAC1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine
SMILESCCC(C)(C)N1CCCc2ccc(N)cc21
InChIInChI=1S/C14H22N2/c1-4-14(2,3)16-9-5-6-11-7-8-12(15)10-13(11)16/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyOVRTZZAVOCLAOT-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.21
Rot. Bonds2

About 1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine

1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 170315346) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine
PubChem CID170315346
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine
SMILESCCC(C)(C)N1CCCc2ccc(N)cc21
InChIInChI=1S/C14H22N2/c1-4-14(2,3)16-9-5-6-11-7-8-12(15)10-13(11)16/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyOVRTZZAVOCLAOT-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine (CID 170315346) is 1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine is CCC(C)(C)N1CCCc2ccc(N)cc21.
What is the InChIKey of 1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is OVRTZZAVOCLAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-14(2,3)16-9-5-6-11-7-8-12(15)10-13(11)16/h7-8,10H,4-6,9,15H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine?
1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 218.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 170315346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).