2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine

C18H27N3 — CID 81229333

IUPAC2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1cccc2ncccc12)N(C)C
InChIInChI=1S/C18H27N3/c1-6-18(7-2,21(4)5)17(19-3)15-10-8-12-16-14(15)11-9-13-20-16/h8-13,17,19H,6-7H2,1-5H3
InChIKeyPANOFQCEYFMABA-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.62
Rot. Bonds6

About 2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine

2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine (PubChem CID 81229333) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine
PubChem CID81229333
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1cccc2ncccc12)N(C)C
InChIInChI=1S/C18H27N3/c1-6-18(7-2,21(4)5)17(19-3)15-10-8-12-16-14(15)11-9-13-20-16/h8-13,17,19H,6-7H2,1-5H3
InChIKeyPANOFQCEYFMABA-UHFFFAOYSA-N
XLogP3.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-hydrazinyl-2-methyl-1-quinolin-5-ylpropan-2-amine
CID 105239372
2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine
CID 81232043
N-methyl-1-(3-methylphenyl)-1-quinolin-5-ylmethanamine
CID 81220394
CID 158967293
CID 158967293
N',N'-dimethyl-1-quinolin-5-ylpropane-1,3-diamine
CID 113291189
1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020092
N-propyl-3-quinolin-5-ylbutan-1-amine
CID 81223447
2-(propylamino)-1-quinolin-5-ylethanol
CID 81221210
N-methyl-1-quinolin-5-ylpent-4-yn-1-amine
CID 105149256
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 78917800
1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020098

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine (CID 81229333) is 2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine is CCC(CC)(C(NC)c1cccc2ncccc12)N(C)C.
What is the InChIKey of 2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine?
The InChIKey is PANOFQCEYFMABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-18(7-2,21(4)5)17(19-3)15-10-8-12-16-14(15)11-9-13-20-16/h8-13,17,19H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine?
2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine has a molecular weight of 285.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine is sourced from PubChem (CID 81229333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).