1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine

C14H26N2O — CID 113437043

IUPAC1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccn(CCCCOC)c1)C(C)C
InChIInChI=1S/C14H26N2O/c1-12(2)14(15-3)13-7-9-16(11-13)8-5-6-10-17-4/h7,9,11-12,14-15H,5-6,8,10H2,1-4H3
InChIKeyGFVJNWDPSAQCQU-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.83
Rot. Bonds8

About 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine

1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine (PubChem CID 113437043) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
PubChem CID113437043
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccn(CCCCOC)c1)C(C)C
InChIInChI=1S/C14H26N2O/c1-12(2)14(15-3)13-7-9-16(11-13)8-5-6-10-17-4/h7,9,11-12,14-15H,5-6,8,10H2,1-4H3
InChIKeyGFVJNWDPSAQCQU-UHFFFAOYSA-N
XLogP2.83
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 103411322
N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine
CID 79097308
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 103411325
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098074
N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79097898
2,2,2-trifluoro-1-[1-(4-methoxybutyl)pyrrol-3-yl]ethanol
CID 104648644
N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
CID 79097299
1-cyclopropyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N-methylmethanamine
CID 103411328
N,2-dimethyl-1-[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]propan-1-amine
CID 106705502
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097214
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097378

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine (CID 113437043) is 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine is CNC(c1ccn(CCCCOC)c1)C(C)C.
What is the InChIKey of 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is GFVJNWDPSAQCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)14(15-3)13-7-9-16(11-13)8-5-6-10-17-4/h7,9,11-12,14-15H,5-6,8,10H2,1-4H3.
What are the key properties of 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 113437043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).