N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine

C10H18N2O — CID 66403728

IUPACN-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cccn1COC
InChIInChI=1S/C10H18N2O/c1-3-6-11-8-10-5-4-7-12(10)9-13-2/h4-5,7,11H,3,6,8-9H2,1-2H3
InChIKeyLXLWMAVDKKEDKM-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.59
Rot. Bonds6

About N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine

N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine (PubChem CID 66403728) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine
PubChem CID66403728
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cccn1COC
InChIInChI=1S/C10H18N2O/c1-3-6-11-8-10-5-4-7-12(10)9-13-2/h4-5,7,11H,3,6,8-9H2,1-2H3
InChIKeyLXLWMAVDKKEDKM-UHFFFAOYSA-N
XLogP1.59
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.59
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

N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
CID 103181721
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
[1-(methoxymethyl)pyrrol-2-yl]methanol
CID 66400554
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
butyl 2-[2-(propylaminomethyl)pyrrol-1-yl]acetate
CID 66402177
2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine
CID 102940113
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
CID 66413467
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 113405048
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 42761700

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine (CID 66403728) is N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine is CCCNCc1cccn1COC.
What is the InChIKey of N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine?
The InChIKey is LXLWMAVDKKEDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-6-11-8-10-5-4-7-12(10)9-13-2/h4-5,7,11H,3,6,8-9H2,1-2H3.
What are the key properties of N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine?
N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66403728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).