4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine

C18H30N2 — CID 63491756

IUPAC4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCN1CC(C)Cc2ccccc21
InChIInChI=1S/C18H30N2/c1-15(2)13-19-10-6-7-11-20-14-16(3)12-17-8-4-5-9-18(17)20/h4-5,8-9,15-16,19H,6-7,10-14H2,1-3H3
InChIKeyHDDMMYGBMINFEA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.71
Rot. Bonds7

About 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine

4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 63491756) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID63491756
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCN1CC(C)Cc2ccccc21
InChIInChI=1S/C18H30N2/c1-15(2)13-19-10-6-7-11-20-14-16(3)12-17-8-4-5-9-18(17)20/h4-5,8-9,15-16,19H,6-7,10-14H2,1-3H3
InChIKeyHDDMMYGBMINFEA-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine with MolForge

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Related Compounds

N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 63492799
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62424967
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 63404154
5-methyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]hexan-2-amine
CID 63502951
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine
CID 63503822
1-cyclopropyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]ethanamine
CID 63503815
N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine
CID 63502793
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63466530
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide
CID 63466348

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine (CID 63491756) is 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCN1CC(C)Cc2ccccc21.
What is the InChIKey of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is HDDMMYGBMINFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)13-19-10-6-7-11-20-14-16(3)12-17-8-4-5-9-18(17)20/h4-5,8-9,15-16,19H,6-7,10-14H2,1-3H3.
What are the key properties of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine?
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63491756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).