[1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol

C17H25NO — CID 126813371

IUPAC[1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol
SMILESCN(Cc1ccc(C2CCCC2)cc1)C1(CO)CC1
InChIInChI=1S/C17H25NO/c1-18(17(13-19)10-11-17)12-14-6-8-16(9-7-14)15-4-2-3-5-15/h6-9,15,19H,2-5,10-13H2,1H3
InChIKeyPOBCZKMKQJXJPB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.30
Rot. Bonds5

About [1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol

[1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol (PubChem CID 126813371) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol
PubChem CID126813371
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol
SMILESCN(Cc1ccc(C2CCCC2)cc1)C1(CO)CC1
InChIInChI=1S/C17H25NO/c1-18(17(13-19)10-11-17)12-14-6-8-16(9-7-14)15-4-2-3-5-15/h6-9,15,19H,2-5,10-13H2,1H3
InChIKeyPOBCZKMKQJXJPB-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol (CID 126813371) is [1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol is CN(Cc1ccc(C2CCCC2)cc1)C1(CO)CC1.
What is the InChIKey of [1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol?
The InChIKey is POBCZKMKQJXJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-18(17(13-19)10-11-17)12-14-6-8-16(9-7-14)15-4-2-3-5-15/h6-9,15,19H,2-5,10-13H2,1H3.
What are the key properties of [1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol?
[1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol is sourced from PubChem (CID 126813371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).