N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine

C15H26N2O — CID 79605409

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCCn1c(C)cc(CNCC2CCCCO2)c1C
InChIInChI=1S/C15H26N2O/c1-4-17-12(2)9-14(13(17)3)10-16-11-15-7-5-6-8-18-15/h9,15-16H,4-8,10-11H2,1-3H3
InChIKeyIRMCHYPVSSQNSA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.78
Rot. Bonds5

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 79605409) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID79605409
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCCn1c(C)cc(CNCC2CCCCO2)c1C
InChIInChI=1S/C15H26N2O/c1-4-17-12(2)9-14(13(17)3)10-16-11-15-7-5-6-8-18-15/h9,15-16H,4-8,10-11H2,1-3H3
InChIKeyIRMCHYPVSSQNSA-UHFFFAOYSA-N
XLogP2.78
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 80599879
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 79578829
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 102835096
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79611444
N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 66135493
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 79604413
1-(1,4-dioxan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 55080860
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124932035
N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014706
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432206

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine (CID 79605409) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine is CCn1c(C)cc(CNCC2CCCCO2)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is IRMCHYPVSSQNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17-12(2)9-14(13(17)3)10-16-11-15-7-5-6-8-18-15/h9,15-16H,4-8,10-11H2,1-3H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 79605409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).