3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol

C17H25NO — CID 154744126

IUPAC3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol
SMILESOCC(CC1CC1)NC1CCC(c2ccccc2)C1
InChIInChI=1S/C17H25NO/c19-12-17(10-13-6-7-13)18-16-9-8-15(11-16)14-4-2-1-3-5-14/h1-5,13,15-19H,6-12H2
InChIKeyHRKJMXYSDDHJCI-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.07
Rot. Bonds6

About 3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol

3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol (PubChem CID 154744126) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol
PubChem CID154744126
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol
SMILESOCC(CC1CC1)NC1CCC(c2ccccc2)C1
InChIInChI=1S/C17H25NO/c19-12-17(10-13-6-7-13)18-16-9-8-15(11-16)14-4-2-1-3-5-14/h1-5,13,15-19H,6-12H2
InChIKeyHRKJMXYSDDHJCI-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol?
The IUPAC name of 3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol (CID 154744126) is 3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol?
The canonical SMILES for 3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol is OCC(CC1CC1)NC1CCC(c2ccccc2)C1.
What is the InChIKey of 3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol?
The InChIKey is HRKJMXYSDDHJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-12-17(10-13-6-7-13)18-16-9-8-15(11-16)14-4-2-1-3-5-14/h1-5,13,15-19H,6-12H2.
What are the key properties of 3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol?
3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol is sourced from PubChem (CID 154744126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).