1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine

C13H24N2O — CID 115726415

IUPAC1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
SMILESCOCCC(NCc1ccn(C)c1)C(C)C
InChIInChI=1S/C13H24N2O/c1-11(2)13(6-8-16-4)14-9-12-5-7-15(3)10-12/h5,7,10-11,13-14H,6,8-9H2,1-4H3
InChIKeyUCTBXCDNOHPYAO-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.18
Rot. Bonds7

About 1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine

1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine (PubChem CID 115726415) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
PubChem CID115726415
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
SMILESCOCCC(NCc1ccn(C)c1)C(C)C
InChIInChI=1S/C13H24N2O/c1-11(2)13(6-8-16-4)14-9-12-5-7-15(3)10-12/h5,7,10-11,13-14H,6,8-9H2,1-4H3
InChIKeyUCTBXCDNOHPYAO-UHFFFAOYSA-N
XLogP2.18
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-3-methyl-2-[(1-methylpyrrol-3-yl)methylamino]butanoate
CID 66399382
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine
CID 115677495
3-(2-methoxyethyl)-1-methylpyrrole
CID 143232887
2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 115867933
N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine
CID 66398785
1-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399983
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103992330
N-[(1-methylpyrrol-3-yl)methyl]-1-phenylpropan-2-amine
CID 66398787
1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 115867956
2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66397924
N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide
CID 115868089

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
The IUPAC name of 1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine (CID 115726415) is 1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine.
What is the SMILES notation for 1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
The canonical SMILES for 1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine is COCCC(NCc1ccn(C)c1)C(C)C.
What is the InChIKey of 1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
The InChIKey is UCTBXCDNOHPYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)13(6-8-16-4)14-9-12-5-7-15(3)10-12/h5,7,10-11,13-14H,6,8-9H2,1-4H3.
What are the key properties of 1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine is sourced from PubChem (CID 115726415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).