1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine

C17H26N2O2 — CID 107386248

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine
SMILESCN1CCCc2cc(CNCC3COC(C)(C)O3)ccc21
InChIInChI=1S/C17H26N2O2/c1-17(2)20-12-15(21-17)11-18-10-13-6-7-16-14(9-13)5-4-8-19(16)3/h6-7,9,15,18H,4-5,8,10-12H2,1-3H3
InChIKeyWKYOVAXLFRSJMO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.31
Rot. Bonds4

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine (PubChem CID 107386248) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine
PubChem CID107386248
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine
SMILESCN1CCCc2cc(CNCC3COC(C)(C)O3)ccc21
InChIInChI=1S/C17H26N2O2/c1-17(2)20-12-15(21-17)11-18-10-13-6-7-16-14(9-13)5-4-8-19(16)3/h6-7,9,15,18H,4-5,8,10-12H2,1-3H3
InChIKeyWKYOVAXLFRSJMO-UHFFFAOYSA-N
XLogP2.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62096486
4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125778
1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 103838354
2,2,3,3-tetramethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclopropan-1-amine
CID 79351945
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 107386627
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 62095490
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227
1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 62096877
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 62066674

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine (CID 107386248) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine is CN1CCCc2cc(CNCC3COC(C)(C)O3)ccc21.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine?
The InChIKey is WKYOVAXLFRSJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2)20-12-15(21-17)11-18-10-13-6-7-16-14(9-13)5-4-8-19(16)3/h6-7,9,15,18H,4-5,8,10-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine has a molecular weight of 290.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine is sourced from PubChem (CID 107386248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).