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

C12H20N2O — CID 66399833

IUPACN-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCn1ccc(CNCC2CCOCC2)c1
InChIInChI=1S/C12H20N2O/c1-14-5-2-12(10-14)9-13-8-11-3-6-15-7-4-11/h2,5,10-11,13H,3-4,6-9H2,1H3
InChIKeyRFXKTDYBZQQKNH-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.54
Rot. Bonds4

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

N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 66399833) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID66399833
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCn1ccc(CNCC2CCOCC2)c1
InChIInChI=1S/C12H20N2O/c1-14-5-2-12(10-14)9-13-8-11-3-6-15-7-4-11/h2,5,10-11,13H,3-4,6-9H2,1H3
InChIKeyRFXKTDYBZQQKNH-UHFFFAOYSA-N
XLogP1.54
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66415974
1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66400440
N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
CID 66397450
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506
N-[[1-(oxan-4-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66406332
1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 62351928
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583
1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 103839161
N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63000865
N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62351212
N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66414021

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine (CID 66399833) is N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine is Cn1ccc(CNCC2CCOCC2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is RFXKTDYBZQQKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14-5-2-12(10-14)9-13-8-11-3-6-15-7-4-11/h2,5,10-11,13H,3-4,6-9H2,1H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.54, 4 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]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 66399833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).