2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine

C13H23N3O — CID 116501076

IUPAC2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine
SMILESCOCC(C)CNC1CCCC1n1ccnc1
InChIInChI=1S/C13H23N3O/c1-11(9-17-2)8-15-12-4-3-5-13(12)16-7-6-14-10-16/h6-7,10-13,15H,3-5,8-9H2,1-2H3
InChIKeyWXUSRYZMLAPATE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.85
Rot. Bonds6

About 2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine

2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine (PubChem CID 116501076) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine
PubChem CID116501076
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine
SMILESCOCC(C)CNC1CCCC1n1ccnc1
InChIInChI=1S/C13H23N3O/c1-11(9-17-2)8-15-12-4-3-5-13(12)16-7-6-14-10-16/h6-7,10-13,15H,3-5,8-9H2,1-2H3
InChIKeyWXUSRYZMLAPATE-UHFFFAOYSA-N
XLogP1.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine?
The IUPAC name of 2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine (CID 116501076) is 2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine?
The canonical SMILES for 2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine is COCC(C)CNC1CCCC1n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine?
The InChIKey is WXUSRYZMLAPATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(9-17-2)8-15-12-4-3-5-13(12)16-7-6-14-10-16/h6-7,10-13,15H,3-5,8-9H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine?
2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 116501076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).