N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine

C11H18N2O — CID 66397450

IUPACN-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
SMILESCn1ccc(CNC2CCOCC2)c1
InChIInChI=1S/C11H18N2O/c1-13-5-2-10(9-13)8-12-11-3-6-14-7-4-11/h2,5,9,11-12H,3-4,6-8H2,1H3
InChIKeyIXZMTFJLCRYAJA-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.29
Rot. Bonds3

About N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine

N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine (PubChem CID 66397450) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
PubChem CID66397450
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
SMILESCn1ccc(CNC2CCOCC2)c1
InChIInChI=1S/C11H18N2O/c1-13-5-2-10(9-13)8-12-11-3-6-14-7-4-11/h2,5,9,11-12H,3-4,6-8H2,1H3
InChIKeyIXZMTFJLCRYAJA-UHFFFAOYSA-N
XLogP1.29
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 66399833
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66399217
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
CID 66400036
1,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-3-amine
CID 115726418
1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 103839161
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66405369
N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine
CID 96656264
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
N-[(1-methylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 66399566
N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
CID 43608548
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine (CID 66397450) is N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine is Cn1ccc(CNC2CCOCC2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine?
The InChIKey is IXZMTFJLCRYAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-5-2-10(9-13)8-12-11-3-6-14-7-4-11/h2,5,9,11-12H,3-4,6-8H2,1H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine?
N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine has a molecular weight of 194.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 66397450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).