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

C14H24N2O — CID 66415974

IUPAC1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
SMILESCCCn1ccc(CNCC2CCOCC2)c1
InChIInChI=1S/C14H24N2O/c1-2-6-16-7-3-14(12-16)11-15-10-13-4-8-17-9-5-13/h3,7,12-13,15H,2,4-6,8-11H2,1H3
InChIKeyMKUMLTBOEUYHLF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.41
Rot. Bonds6

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

1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine (PubChem CID 66415974) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
PubChem CID66415974
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
SMILESCCCn1ccc(CNCC2CCOCC2)c1
InChIInChI=1S/C14H24N2O/c1-2-6-16-7-3-14(12-16)11-15-10-13-4-8-17-9-5-13/h3,7,12-13,15H,2,4-6,8-11H2,1H3
InChIKeyMKUMLTBOEUYHLF-UHFFFAOYSA-N
XLogP2.41
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 66399833
N-[[1-(oxan-4-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66406332
N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66414021
2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66416757
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 104759716
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66414820
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414995
4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66416546
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The IUPAC name of 1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine (CID 66415974) is 1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine is CCCn1ccc(CNCC2CCOCC2)c1.
What is the InChIKey of 1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The InChIKey is MKUMLTBOEUYHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-6-16-7-3-14(12-16)11-15-10-13-4-8-17-9-5-13/h3,7,12-13,15H,2,4-6,8-11H2,1H3.
What are the key properties of 1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine is sourced from PubChem (CID 66415974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).