1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine

C10H18N2O — CID 79097964

IUPAC1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCOCn1ccc(C(N)C(C)C)c1
InChIInChI=1S/C10H18N2O/c1-8(2)10(11)9-4-5-12(6-9)7-13-3/h4-6,8,10H,7,11H2,1-3H3
InChIKeyIJYDNGRJAVXVEC-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.75
Rot. Bonds4

About 1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine

1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine (PubChem CID 79097964) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine
PubChem CID79097964
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCOCn1ccc(C(N)C(C)C)c1
InChIInChI=1S/C10H18N2O/c1-8(2)10(11)9-4-5-12(6-9)7-13-3/h4-6,8,10H,7,11H2,1-3H3
InChIKeyIJYDNGRJAVXVEC-UHFFFAOYSA-N
XLogP1.75
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine (CID 79097964) is 1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine is COCn1ccc(C(N)C(C)C)c1.
What is the InChIKey of 1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
The InChIKey is IJYDNGRJAVXVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)10(11)9-4-5-12(6-9)7-13-3/h4-6,8,10H,7,11H2,1-3H3.
What are the key properties of 1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)pyrrol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79097964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).