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

C18H30N2 — CID 63492799

IUPACN-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
SMILESCC1Cc2ccccc2N(CCCCNC(C)(C)C)C1
InChIInChI=1S/C18H30N2/c1-15-13-16-9-5-6-10-17(16)20(14-15)12-8-7-11-19-18(2,3)4/h5-6,9-10,15,19H,7-8,11-14H2,1-4H3
InChIKeyXJSFVVYBUJGUMO-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds5

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

N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine (PubChem CID 63492799) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
PubChem CID63492799
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
SMILESCC1Cc2ccccc2N(CCCCNC(C)(C)C)C1
InChIInChI=1S/C18H30N2/c1-15-13-16-9-5-6-10-17(16)20(14-15)12-8-7-11-19-18(2,3)4/h5-6,9-10,15,19H,7-8,11-14H2,1-4H3
InChIKeyXJSFVVYBUJGUMO-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63491756
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
4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 63484285
N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine
CID 63502793
2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
CID 63465804
3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 55192460
N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine
CID 63503822
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 15304197
2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63465258
5-methyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]hexan-2-amine
CID 63502951

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine (CID 63492799) is N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine is CC1Cc2ccccc2N(CCCCNC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine?
The InChIKey is XJSFVVYBUJGUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15-13-16-9-5-6-10-17(16)20(14-15)12-8-7-11-19-18(2,3)4/h5-6,9-10,15,19H,7-8,11-14H2,1-4H3.
What are the key properties of N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine?
N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine is sourced from PubChem (CID 63492799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).