N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine

C15H28N2 — CID 66404786

IUPACN-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCn1ccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H28N2/c1-14(2,3)8-10-17-9-7-13(12-17)11-16-15(4,5)6/h7,9,12,16H,8,10-11H2,1-6H3
InChIKeyRAGPUENUSWMTTP-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.81
Rot. Bonds4

About N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66404786) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID66404786
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCn1ccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H28N2/c1-14(2,3)8-10-17-9-7-13(12-17)11-16-15(4,5)6/h7,9,12,16H,8,10-11H2,1-6H3
InChIKeyRAGPUENUSWMTTP-UHFFFAOYSA-N
XLogP3.81
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-tert-butylsulfonylethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 106717726
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406201
2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 114528934
N-[[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404585
N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 103411288
N-[[1-[(4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66403968
2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66404386
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]but-3-yn-2-amine
CID 66415006
N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66403975
N-[(1-ethylpyrrol-3-yl)methyl]-2-methylbut-3-yn-2-amine
CID 66415005
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide
CID 66406597

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine (CID 66404786) is N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)CCn1ccc(CNC(C)(C)C)c1.
What is the InChIKey of N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RAGPUENUSWMTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-14(2,3)8-10-17-9-7-13(12-17)11-16-15(4,5)6/h7,9,12,16H,8,10-11H2,1-6H3.
What are the key properties of N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 236.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66404786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).