N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine

C11H20N2 — CID 66404275

IUPACN-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
SMILESCNCc1ccn(CCC(C)C)c1
InChIInChI=1S/C11H20N2/c1-10(2)4-6-13-7-5-11(9-13)8-12-3/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeyLBLHTGVWEDFBLR-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.25
Rot. Bonds5

About N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine

N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine (PubChem CID 66404275) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
PubChem CID66404275
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
SMILESCNCc1ccn(CCC(C)C)c1
InChIInChI=1S/C11H20N2/c1-10(2)4-6-13-7-5-11(9-13)8-12-3/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeyLBLHTGVWEDFBLR-UHFFFAOYSA-N
XLogP2.25
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol
CID 66406506
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine
CID 66404285
1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66406100
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methanamine
CID 66405496
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404693
N-methyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66404281
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406724
N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 106455297
2,2-dimethyl-6-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]hexanenitrile
CID 106713558
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66405700
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115325132

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine (CID 66404275) is N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine is CNCc1ccn(CCC(C)C)c1.
What is the InChIKey of N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine?
The InChIKey is LBLHTGVWEDFBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)4-6-13-7-5-11(9-13)8-12-3/h5,7,9-10,12H,4,6,8H2,1-3H3.
What are the key properties of N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine?
N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine has a molecular weight of 180.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 66404275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).