2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine

C13H24N2O — CID 115667004

IUPAC2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine
SMILESCOC(CNCc1cccn1C)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-13(2,3)12(16-5)10-14-9-11-7-6-8-15(11)4/h6-8,12,14H,9-10H2,1-5H3
InChIKeyZUJDKZGWYDBKIV-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.18
Rot. Bonds5

About 2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine

2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine (PubChem CID 115667004) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine
PubChem CID115667004
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine
SMILESCOC(CNCc1cccn1C)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-13(2,3)12(16-5)10-14-9-11-7-6-8-15(11)4/h6-8,12,14H,9-10H2,1-5H3
InChIKeyZUJDKZGWYDBKIV-UHFFFAOYSA-N
XLogP2.18
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757469
N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764127
N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667010
2-methoxy-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 115686359
N-methoxy-1-(1-methylpyrrol-2-yl)methanamine
CID 82706215
tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate
CID 107250372
2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide
CID 106171308
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 130478285
1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
CID 71982545
2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111436616
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine
CID 29008129

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine (CID 115667004) is 2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine is COC(CNCc1cccn1C)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine?
The InChIKey is ZUJDKZGWYDBKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)12(16-5)10-14-9-11-7-6-8-15(11)4/h6-8,12,14H,9-10H2,1-5H3.
What are the key properties of 2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine?
2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 115667004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).