N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine

C14H24N2O — CID 79102539

IUPACN-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1CCCC1CCCO1
InChIInChI=1S/C14H24N2O/c1-12(15-2)14-8-4-10-16(14)9-3-6-13-7-5-11-17-13/h4,8,10,12-13,15H,3,5-7,9,11H2,1-2H3
InChIKeyLJFXEQLOPOAFLG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.73
Rot. Bonds6

About N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine

N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine (PubChem CID 79102539) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine
PubChem CID79102539
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1CCCC1CCCO1
InChIInChI=1S/C14H24N2O/c1-12(15-2)14-8-4-10-16(14)9-3-6-13-7-5-11-17-13/h4,8,10,12-13,15H,3,5-7,9,11H2,1-2H3
InChIKeyLJFXEQLOPOAFLG-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
CID 65165521
2-methyl-1-[3-(oxolan-2-yl)propyl]indole
CID 65165792
7-ethyl-1-[3-(oxolan-2-yl)propyl]indole
CID 116618876
1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine
CID 79102534
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
1-[3-(oxolan-2-yl)propyl]pyrrole-3-carbaldehyde
CID 66408577
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3237476
N-[cyclopropyl-[1-[3-(oxolan-2-yl)propyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099642
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine (CID 79102539) is N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine is CNC(C)c1cccn1CCCC1CCCO1.
What is the InChIKey of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine?
The InChIKey is LJFXEQLOPOAFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(15-2)14-8-4-10-16(14)9-3-6-13-7-5-11-17-13/h4,8,10,12-13,15H,3,5-7,9,11H2,1-2H3.
What are the key properties of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine?
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).