2-(4,4-dimethylazepan-1-yl)quinolin-6-amine

C17H23N3 — CID 65283520

IUPAC2-(4,4-dimethylazepan-1-yl)quinolin-6-amine
SMILESCC1(C)CCCN(c2ccc3cc(N)ccc3n2)CC1
InChIInChI=1S/C17H23N3/c1-17(2)8-3-10-20(11-9-17)16-7-4-13-12-14(18)5-6-15(13)19-16/h4-7,12H,3,8-11,18H2,1-2H3
InChIKeyICNYZSDMIKCGBM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.83
Rot. Bonds1

About 2-(4,4-dimethylazepan-1-yl)quinolin-6-amine

2-(4,4-dimethylazepan-1-yl)quinolin-6-amine (PubChem CID 65283520) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)quinolin-6-amine.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)quinolin-6-amine
PubChem CID65283520
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(4,4-dimethylazepan-1-yl)quinolin-6-amine
SMILESCC1(C)CCCN(c2ccc3cc(N)ccc3n2)CC1
InChIInChI=1S/C17H23N3/c1-17(2)8-3-10-20(11-9-17)16-7-4-13-12-14(18)5-6-15(13)19-16/h4-7,12H,3,8-11,18H2,1-2H3
InChIKeyICNYZSDMIKCGBM-UHFFFAOYSA-N
XLogP3.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)quinolin-6-amine?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)quinolin-6-amine (CID 65283520) is 2-(4,4-dimethylazepan-1-yl)quinolin-6-amine.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)quinolin-6-amine?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)quinolin-6-amine is CC1(C)CCCN(c2ccc3cc(N)ccc3n2)CC1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)quinolin-6-amine?
The InChIKey is ICNYZSDMIKCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2)8-3-10-20(11-9-17)16-7-4-13-12-14(18)5-6-15(13)19-16/h4-7,12H,3,8-11,18H2,1-2H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)quinolin-6-amine?
2-(4,4-dimethylazepan-1-yl)quinolin-6-amine has a molecular weight of 269.39 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)quinolin-6-amine is sourced from PubChem (CID 65283520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).