N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine

C11H18N2O — CID 66398506

IUPACN-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCn1ccc(CNCC2CCCO2)c1
InChIInChI=1S/C11H18N2O/c1-13-5-4-10(9-13)7-12-8-11-3-2-6-14-11/h4-5,9,11-12H,2-3,6-8H2,1H3
InChIKeyFLAAGGWHWPCBCV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.29
Rot. Bonds4

About N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 66398506) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID66398506
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCn1ccc(CNCC2CCCO2)c1
InChIInChI=1S/C11H18N2O/c1-13-5-4-10(9-13)7-12-8-11-3-2-6-14-11/h4-5,9,11-12H,2-3,6-8H2,1H3
InChIKeyFLAAGGWHWPCBCV-UHFFFAOYSA-N
XLogP1.29
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110768911
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 66399833
N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 3156818
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
N-[(1-methylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124559394
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,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
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-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 66398506) is N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine is Cn1ccc(CNCC2CCCO2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is FLAAGGWHWPCBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-5-4-10(9-13)7-12-8-11-3-2-6-14-11/h4-5,9,11-12H,2-3,6-8H2,1H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.29, 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-(oxolan-2-yl)methanamine is sourced from PubChem (CID 66398506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).