N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine

C15H28N2O — CID 112591103

IUPACN-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(NC)c1ccn(CCOC(C)(C)C)c1
InChIInChI=1S/C15H28N2O/c1-6-7-14(16-5)13-8-9-17(12-13)10-11-18-15(2,3)4/h8-9,12,14,16H,6-7,10-11H2,1-5H3
InChIKeyUEWNPDQBCSYCIZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.36
Rot. Bonds7

About N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine

N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine (PubChem CID 112591103) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
PubChem CID112591103
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(NC)c1ccn(CCOC(C)(C)C)c1
InChIInChI=1S/C15H28N2O/c1-6-7-14(16-5)13-8-9-17(12-13)10-11-18-15(2,3)4/h8-9,12,14,16H,6-7,10-11H2,1-5H3
InChIKeyUEWNPDQBCSYCIZ-UHFFFAOYSA-N
XLogP3.36
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
CID 79107966
1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109268
N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine
CID 79109107
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
methyl 2,2-dimethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanoate
CID 79621887
N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108808
3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109897
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine
CID 112591094
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109894
ethyl 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetate
CID 79110034
cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol
CID 112591034

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine (CID 112591103) is N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine is CCCC(NC)c1ccn(CCOC(C)(C)C)c1.
What is the InChIKey of N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is UEWNPDQBCSYCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-7-14(16-5)13-8-9-17(12-13)10-11-18-15(2,3)4/h8-9,12,14,16H,6-7,10-11H2,1-5H3.
What are the key properties of N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine?
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 112591103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).