2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine

C14H24N2O — CID 62474062

IUPAC2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCc1cc(C)n(C)c1C
InChIInChI=1S/C14H24N2O/c1-10-8-12(11(2)16(10)3)9-15-13-6-5-7-14(13)17-4/h8,13-15H,5-7,9H2,1-4H3
InChIKeyFLJHRPYJQZBJID-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.30
Rot. Bonds4

About 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine

2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 62474062) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine
PubChem CID62474062
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCc1cc(C)n(C)c1C
InChIInChI=1S/C14H24N2O/c1-10-8-12(11(2)16(10)3)9-15-13-6-5-7-14(13)17-4/h8,13-15H,5-7,9H2,1-4H3
InChIKeyFLJHRPYJQZBJID-UHFFFAOYSA-N
XLogP2.30
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine (CID 62474062) is 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine is COC1CCCC1NCc1cc(C)n(C)c1C.
What is the InChIKey of 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is FLJHRPYJQZBJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-8-12(11(2)16(10)3)9-15-13-6-5-7-14(13)17-4/h8,13-15H,5-7,9H2,1-4H3.
What are the key properties of 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine?
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 62474062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).