2,3-dimethyl-4-quinolin-4-ylbutan-1-amine

C15H20N2 — CID 81015009

IUPAC2,3-dimethyl-4-quinolin-4-ylbutan-1-amine
SMILESCC(CN)C(C)Cc1ccnc2ccccc12
InChIInChI=1S/C15H20N2/c1-11(12(2)10-16)9-13-7-8-17-15-6-4-3-5-14(13)15/h3-8,11-12H,9-10,16H2,1-2H3
InChIKeyYZXOAUAUAVRJBJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.01
Rot. Bonds4

About 2,3-dimethyl-4-quinolin-4-ylbutan-1-amine

2,3-dimethyl-4-quinolin-4-ylbutan-1-amine (PubChem CID 81015009) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,3-dimethyl-4-quinolin-4-ylbutan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-4-quinolin-4-ylbutan-1-amine
PubChem CID81015009
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2,3-dimethyl-4-quinolin-4-ylbutan-1-amine
SMILESCC(CN)C(C)Cc1ccnc2ccccc12
InChIInChI=1S/C15H20N2/c1-11(12(2)10-16)9-13-7-8-17-15-6-4-3-5-14(13)15/h3-8,11-12H,9-10,16H2,1-2H3
InChIKeyYZXOAUAUAVRJBJ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine
CID 114221993
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
4-(2-ethylbutyl)quinoline
CID 143495355
4-(2-chlorobutyl)quinoline
CID 63203241
2-quinolin-4-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104997388
N-ethyl-3,4-dimethyl-1-quinolin-4-ylpentan-2-amine
CID 104997465
2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine
CID 81196719
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915
(1-propan-2-yloxy-3-quinolin-4-ylpropan-2-yl)hydrazine
CID 105316331
methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate
CID 171618052
1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
CID 104997404
(3-cyclopropyl-1-quinolin-4-ylbutan-2-yl)hydrazine
CID 105316345

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-quinolin-4-ylbutan-1-amine?
The IUPAC name of 2,3-dimethyl-4-quinolin-4-ylbutan-1-amine (CID 81015009) is 2,3-dimethyl-4-quinolin-4-ylbutan-1-amine.
What is the SMILES notation for 2,3-dimethyl-4-quinolin-4-ylbutan-1-amine?
The canonical SMILES for 2,3-dimethyl-4-quinolin-4-ylbutan-1-amine is CC(CN)C(C)Cc1ccnc2ccccc12.
What is the InChIKey of 2,3-dimethyl-4-quinolin-4-ylbutan-1-amine?
The InChIKey is YZXOAUAUAVRJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11(12(2)10-16)9-13-7-8-17-15-6-4-3-5-14(13)15/h3-8,11-12H,9-10,16H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-quinolin-4-ylbutan-1-amine?
2,3-dimethyl-4-quinolin-4-ylbutan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-quinolin-4-ylbutan-1-amine is sourced from PubChem (CID 81015009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).