3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine

C19H32N2 — CID 102904608

IUPAC3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc2c(c1)CCCN2C)C(C)C
InChIInChI=1S/C19H32N2/c1-14(2)18(15(3)4)13-20-12-16-8-9-19-17(11-16)7-6-10-21(19)5/h8-9,11,14-15,18,20H,6-7,10,12-13H2,1-5H3
InChIKeyAWLCHFDYHDCEJL-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.09
Rot. Bonds6

About 3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine

3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine (PubChem CID 102904608) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
PubChem CID102904608
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc2c(c1)CCCN2C)C(C)C
InChIInChI=1S/C19H32N2/c1-14(2)18(15(3)4)13-20-12-16-8-9-19-17(11-16)7-6-10-21(19)5/h8-9,11,14-15,18,20H,6-7,10,12-13H2,1-5H3
InChIKeyAWLCHFDYHDCEJL-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine with MolForge

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Related Compounds

3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
2,2-dimethoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 62096866
3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine
CID 62097585
2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide
CID 106170985
2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine
CID 62097200
2-N,2-N-dimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propane-1,2-diamine
CID 55035111
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
CID 106114459
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 64867069
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
CID 63421316

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine (CID 102904608) is 3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine is CC(C)C(CNCc1ccc2c(c1)CCCN2C)C(C)C.
What is the InChIKey of 3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine?
The InChIKey is AWLCHFDYHDCEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-14(2)18(15(3)4)13-20-12-16-8-9-19-17(11-16)7-6-10-21(19)5/h8-9,11,14-15,18,20H,6-7,10,12-13H2,1-5H3.
What are the key properties of 3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine?
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).