4-(3-methylquinolin-6-yl)butan-2-amine

C14H18N2 — CID 116997396

IUPAC4-(3-methylquinolin-6-yl)butan-2-amine
SMILESCc1cnc2ccc(CCC(C)N)cc2c1
InChIInChI=1S/C14H18N2/c1-10-7-13-8-12(4-3-11(2)15)5-6-14(13)16-9-10/h5-9,11H,3-4,15H2,1-2H3
InChIKeyCVAMRNQJFBOQDP-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.82
Rot. Bonds3

About 4-(3-methylquinolin-6-yl)butan-2-amine

4-(3-methylquinolin-6-yl)butan-2-amine (PubChem CID 116997396) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(3-methylquinolin-6-yl)butan-2-amine.

Molecular Properties

Compound Name4-(3-methylquinolin-6-yl)butan-2-amine
PubChem CID116997396
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(3-methylquinolin-6-yl)butan-2-amine
SMILESCc1cnc2ccc(CCC(C)N)cc2c1
InChIInChI=1S/C14H18N2/c1-10-7-13-8-12(4-3-11(2)15)5-6-14(13)16-9-10/h5-9,11H,3-4,15H2,1-2H3
InChIKeyCVAMRNQJFBOQDP-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylquinolin-6-yl)propan-2-amine
CID 83880771
6-(2-chloroethyl)-3-methylquinoline
CID 116997430
(2R)-4-(6-methylnaphthalen-2-yl)butan-2-amine
CID 163572884
3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586
2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol
CID 177184332
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
3-methyl-2-[(3-methylquinolin-6-yl)methyl]butanenitrile
CID 116997500
(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanamine
CID 116997478
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
3-methyl-6-(piperidin-4-ylmethyl)quinoline
CID 116997415
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylquinolin-6-yl)butan-2-amine?
The IUPAC name of 4-(3-methylquinolin-6-yl)butan-2-amine (CID 116997396) is 4-(3-methylquinolin-6-yl)butan-2-amine.
What is the SMILES notation for 4-(3-methylquinolin-6-yl)butan-2-amine?
The canonical SMILES for 4-(3-methylquinolin-6-yl)butan-2-amine is Cc1cnc2ccc(CCC(C)N)cc2c1.
What is the InChIKey of 4-(3-methylquinolin-6-yl)butan-2-amine?
The InChIKey is CVAMRNQJFBOQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-7-13-8-12(4-3-11(2)15)5-6-14(13)16-9-10/h5-9,11H,3-4,15H2,1-2H3.
What are the key properties of 4-(3-methylquinolin-6-yl)butan-2-amine?
4-(3-methylquinolin-6-yl)butan-2-amine has a molecular weight of 214.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylquinolin-6-yl)butan-2-amine is sourced from PubChem (CID 116997396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).