[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine

C17H23N3 — CID 116640310

IUPAC[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine
SMILESCc1cc2ccccc2nc1N1CCCCCC1CN
InChIInChI=1S/C17H23N3/c1-13-11-14-7-4-5-9-16(14)19-17(13)20-10-6-2-3-8-15(20)12-18/h4-5,7,9,11,15H,2-3,6,8,10,12,18H2,1H3
InChIKeyTVPQRBNJVNIOSQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.25
Rot. Bonds2

About [1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine

[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine (PubChem CID 116640310) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine
PubChem CID116640310
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine
SMILESCc1cc2ccccc2nc1N1CCCCCC1CN
InChIInChI=1S/C17H23N3/c1-13-11-14-7-4-5-9-16(14)19-17(13)20-10-6-2-3-8-15(20)12-18/h4-5,7,9,11,15H,2-3,6,8,10,12,18H2,1H3
InChIKeyTVPQRBNJVNIOSQ-UHFFFAOYSA-N
XLogP3.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol
CID 116634094
3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline
CID 107079898
[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71639684
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341
[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol
CID 61410857
[1-(1,2,4-benzotriazin-3-yl)azepan-2-yl]methanamine
CID 103205238
2-[2-(bromomethyl)azepan-1-yl]-3-methylquinoxaline
CID 116638816
[4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine
CID 114961620
[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 62593155
N-methyl-1-[4-(3-methylquinolin-2-yl)morpholin-3-yl]methanamine
CID 83105040
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 77034286
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine?
The IUPAC name of [1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine (CID 116640310) is [1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine.
What is the SMILES notation for [1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine?
The canonical SMILES for [1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine is Cc1cc2ccccc2nc1N1CCCCCC1CN.
What is the InChIKey of [1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine?
The InChIKey is TVPQRBNJVNIOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-11-14-7-4-5-9-16(14)19-17(13)20-10-6-2-3-8-15(20)12-18/h4-5,7,9,11,15H,2-3,6,8,10,12,18H2,1H3.
What are the key properties of [1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine?
[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine is sourced from PubChem (CID 116640310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).