N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine

C14H26N2O — CID 106455332

IUPACN-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(NC)c1ccn(CCOCC(C)C)c1
InChIInChI=1S/C14H26N2O/c1-5-14(15-4)13-6-7-16(10-13)8-9-17-11-12(2)3/h6-7,10,12,14-15H,5,8-9,11H2,1-4H3
InChIKeyGUWZKFLBEPNYLN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.83
Rot. Bonds8

About N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine

N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine (PubChem CID 106455332) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine
PubChem CID106455332
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(NC)c1ccn(CCOCC(C)C)c1
InChIInChI=1S/C14H26N2O/c1-5-14(15-4)13-6-7-16(10-13)8-9-17-11-12(2)3/h6-7,10,12,14-15H,5,8-9,11H2,1-4H3
InChIKeyGUWZKFLBEPNYLN-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine (CID 106455332) is N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine is CCC(NC)c1ccn(CCOCC(C)C)c1.
What is the InChIKey of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is GUWZKFLBEPNYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-14(15-4)13-6-7-16(10-13)8-9-17-11-12(2)3/h6-7,10,12,14-15H,5,8-9,11H2,1-4H3.
What are the key properties of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine?
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-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 N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 106455332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).