N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine

C20H32N4O2S — CID 29150644

IUPACN-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCC(C)CCn1c(CN(C)CCc2ccccn2)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C20H32N4O2S/c1-16(2)9-13-24-19(14-22-20(24)27(25,26)17(3)4)15-23(5)12-10-18-8-6-7-11-21-18/h6-8,11,14,16-17H,9-10,12-13,15H2,1-5H3
InChIKeyLIQZSRQIDMUSEO-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.18
Rot. Bonds10

About N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine

N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine (PubChem CID 29150644) has the molecular formula C20H32N4O2S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine
PubChem CID29150644
Molecular FormulaC20H32N4O2S
Molecular Weight392.57 g/mol
Exact Mass392.22
IUPAC NameN-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCC(C)CCn1c(CN(C)CCc2ccccn2)cnc1S(=O)(=O)C(C)C
InChIInChI=1S/C20H32N4O2S/c1-16(2)9-13-24-19(14-22-20(24)27(25,26)17(3)4)15-23(5)12-10-18-8-6-7-11-21-18/h6-8,11,14,16-17H,9-10,12-13,15H2,1-5H3
InChIKeyLIQZSRQIDMUSEO-UHFFFAOYSA-N
XLogP3.18
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-2-pyridin-2-ylethanamine
CID 28849513
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 115756308
N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine
CID 25273955
2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 45223103
3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol
CID 45189890

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine (CID 29150644) is N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine is CC(C)CCn1c(CN(C)CCc2ccccn2)cnc1S(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
The InChIKey is LIQZSRQIDMUSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S/c1-16(2)9-13-24-19(14-22-20(24)27(25,26)17(3)4)15-23(5)12-10-18-8-6-7-11-21-18/h6-8,11,14,16-17H,9-10,12-13,15H2,1-5H3.
What are the key properties of N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine has a molecular weight of 392.57 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 29150644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).