3,3-dimethyl-4-quinolin-6-ylbutan-1-amine

C15H20N2 — CID 116997321

IUPAC3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
SMILESCC(C)(CCN)Cc1ccc2ncccc2c1
InChIInChI=1S/C15H20N2/c1-15(2,7-8-16)11-12-5-6-14-13(10-12)4-3-9-17-14/h3-6,9-10H,7-8,11,16H2,1-2H3
InChIKeyYIDXGMIMWILQKE-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.15
Rot. Bonds4

About 3,3-dimethyl-4-quinolin-6-ylbutan-1-amine

3,3-dimethyl-4-quinolin-6-ylbutan-1-amine (PubChem CID 116997321) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-quinolin-6-ylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
PubChem CID116997321
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
SMILESCC(C)(CCN)Cc1ccc2ncccc2c1
InChIInChI=1S/C15H20N2/c1-15(2,7-8-16)11-12-5-6-14-13(10-12)4-3-9-17-14/h3-6,9-10H,7-8,11,16H2,1-2H3
InChIKeyYIDXGMIMWILQKE-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
CID 113234424
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
6-amino-4,4-dimethyl-N-quinolin-6-ylhexanamide
CID 65291463
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine
CID 79660851
2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
CID 66222730
2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116925164
2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine
CID 62008003
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-quinolin-6-ylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-4-quinolin-6-ylbutan-1-amine (CID 116997321) is 3,3-dimethyl-4-quinolin-6-ylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-4-quinolin-6-ylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-4-quinolin-6-ylbutan-1-amine is CC(C)(CCN)Cc1ccc2ncccc2c1.
What is the InChIKey of 3,3-dimethyl-4-quinolin-6-ylbutan-1-amine?
The InChIKey is YIDXGMIMWILQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(2,7-8-16)11-12-5-6-14-13(10-12)4-3-9-17-14/h3-6,9-10H,7-8,11,16H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-quinolin-6-ylbutan-1-amine?
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-quinolin-6-ylbutan-1-amine is sourced from PubChem (CID 116997321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).