N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine

C7H12N2O — CID 115258536

IUPACN-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine
SMILESCOCNCc1ccc[nH]1
InChIInChI=1S/C7H12N2O/c1-10-6-8-5-7-3-2-4-9-7/h2-4,8-9H,5-6H2,1H3
InChIKeyCIYSZHQLYHZTMZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.71
Rot. Bonds4

About N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine

N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine (PubChem CID 115258536) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine
PubChem CID115258536
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine
SMILESCOCNCc1ccc[nH]1
InChIInChI=1S/C7H12N2O/c1-10-6-8-5-7-3-2-4-9-7/h2-4,8-9H,5-6H2,1H3
InChIKeyCIYSZHQLYHZTMZ-UHFFFAOYSA-N
XLogP0.71
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1H-pyrrol-2-yl)-N-[[2,4,6-trimethyl-3,5-bis[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]methanamine
CID 72697855
N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 60662724
2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 64570071
1H-pyrrol-2-ylmethylhydrazine
CID 53275207
3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 82941247
4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine
CID 62339578
2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 83142379
3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol
CID 66177182
3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328403
N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
CID 60664312
N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 62339076
3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
CID 103578645

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine?
The IUPAC name of N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine (CID 115258536) is N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine is COCNCc1ccc[nH]1.
What is the InChIKey of N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine?
The InChIKey is CIYSZHQLYHZTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-10-6-8-5-7-3-2-4-9-7/h2-4,8-9H,5-6H2,1H3.
What are the key properties of N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine?
N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine has a molecular weight of 140.19 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 115258536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).