N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine

C12H20N2O — CID 133197507

IUPACN-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCc1ccc(CNCC2CCCO2)[nH]1
InChIInChI=1S/C12H20N2O/c1-2-10-5-6-11(14-10)8-13-9-12-4-3-7-15-12/h5-6,12-14H,2-4,7-9H2,1H3
InChIKeyJIKDWZPEDLBDQO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.85
Rot. Bonds5

About N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 133197507) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID133197507
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCc1ccc(CNCC2CCCO2)[nH]1
InChIInChI=1S/C12H20N2O/c1-2-10-5-6-11(14-10)8-13-9-12-4-3-7-15-12/h5-6,12-14H,2-4,7-9H2,1H3
InChIKeyJIKDWZPEDLBDQO-UHFFFAOYSA-N
XLogP1.85
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 3156818
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine
CID 61318522
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757
N-[[4-(chloromethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 107232896
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
N-[(1-ethylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124932139
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161
1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
CID 6462943

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 133197507) is N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine is CCc1ccc(CNCC2CCCO2)[nH]1.
What is the InChIKey of N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is JIKDWZPEDLBDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-10-5-6-11(14-10)8-13-9-12-4-3-7-15-12/h5-6,12-14H,2-4,7-9H2,1H3.
What are the key properties of N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 133197507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).