2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine

C11H18N2O — CID 62339579

IUPAC2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESc1c[nH]c(CNCCC2CCCO2)c1
InChIInChI=1S/C11H18N2O/c1-3-10(13-6-1)9-12-7-5-11-4-2-8-14-11/h1,3,6,11-13H,2,4-5,7-9H2
InChIKeyVOTTZGFSDRVHSG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.67
Rot. Bonds5

About 2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine

2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine (PubChem CID 62339579) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
PubChem CID62339579
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESc1c[nH]c(CNCCC2CCCO2)c1
InChIInChI=1S/C11H18N2O/c1-3-10(13-6-1)9-12-7-5-11-4-2-8-14-11/h1,3,6,11-13H,2,4-5,7-9H2
InChIKeyVOTTZGFSDRVHSG-UHFFFAOYSA-N
XLogP1.67
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(oxolan-2-yl)ethylamino]methyl]-1H-pyrrole-3-carboxylic acid
CID 114285313
2-(oxolan-2-yl)-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
CID 113222754
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 80648716
N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362830
2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 112554056
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
N-[(4-bromo-2-chlorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115652022
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
methyl 4-[[2-(oxolan-2-yl)ethylamino]methyl]benzoate
CID 60767010
(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
CID 115865917

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine (CID 62339579) is 2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine is c1c[nH]c(CNCCC2CCCO2)c1.
What is the InChIKey of 2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The InChIKey is VOTTZGFSDRVHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-10(13-6-1)9-12-7-5-11-4-2-8-14-11/h1,3,6,11-13H,2,4-5,7-9H2.
What are the key properties of 2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine is sourced from PubChem (CID 62339579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).