N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine

C15H28N2O — CID 103034968

IUPACN-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCn1cccc1CNC(C)(C)C
InChIInChI=1S/C15H28N2O/c1-14(2,3)16-12-13-8-7-10-17(13)11-9-15(4,5)18-6/h7-8,10,16H,9,11-12H2,1-6H3
InChIKeyANBXVCWBQCQLTR-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.19
Rot. Bonds6

About N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103034968) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID103034968
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCn1cccc1CNC(C)(C)C
InChIInChI=1S/C15H28N2O/c1-14(2,3)16-12-13-8-7-10-17(13)11-9-15(4,5)18-6/h7-8,10,16H,9,11-12H2,1-6H3
InChIKeyANBXVCWBQCQLTR-UHFFFAOYSA-N
XLogP3.19
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401246
5-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 66403383
2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
CID 66401427
N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 103037479
2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401243
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401049
5-[2-[(tert-butylamino)methyl]pyrrol-1-yl]pentanenitrile
CID 66402231
2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine
CID 114334303
3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 66401250
N-[[1-(3,3-dimethylbutyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401868
propan-2-yl 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]acetate
CID 66402993
2-(hydroxymethyl)-2-[(1-propylpyrrol-2-yl)methylamino]propane-1,3-diol
CID 114008971

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine (CID 103034968) is N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine is COC(C)(C)CCn1cccc1CNC(C)(C)C.
What is the InChIKey of N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ANBXVCWBQCQLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(2,3)16-12-13-8-7-10-17(13)11-9-15(4,5)18-6/h7-8,10,16H,9,11-12H2,1-6H3.
What are the key properties of N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 252.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103034968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).