N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine

C19H27N3O — CID 131929150

IUPACN-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine
SMILESCc1ncn(CCNCc2ccc(OC3CCCC3)cc2)c1C
InChIInChI=1S/C19H27N3O/c1-15-16(2)22(14-21-15)12-11-20-13-17-7-9-19(10-8-17)23-18-5-3-4-6-18/h7-10,14,18,20H,3-6,11-13H2,1-2H3
InChIKeyVBBXHJOXMXYYMR-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.61
Rot. Bonds7

About N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine

N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine (PubChem CID 131929150) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine
PubChem CID131929150
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine
SMILESCc1ncn(CCNCc2ccc(OC3CCCC3)cc2)c1C
InChIInChI=1S/C19H27N3O/c1-15-16(2)22(14-21-15)12-11-20-13-17-7-9-19(10-8-17)23-18-5-3-4-6-18/h7-10,14,18,20H,3-6,11-13H2,1-2H3
InChIKeyVBBXHJOXMXYYMR-UHFFFAOYSA-N
XLogP3.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine (CID 131929150) is N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The canonical SMILES for N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine is Cc1ncn(CCNCc2ccc(OC3CCCC3)cc2)c1C.
What is the InChIKey of N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The InChIKey is VBBXHJOXMXYYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15-16(2)22(14-21-15)12-11-20-13-17-7-9-19(10-8-17)23-18-5-3-4-6-18/h7-10,14,18,20H,3-6,11-13H2,1-2H3.
What are the key properties of N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine?
N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine has a molecular weight of 313.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine is sourced from PubChem (CID 131929150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).