3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol

C16H25NO — CID 65108444

IUPAC3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC(c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-3-16(18,4-2)12-17-15-10-14(11-15)13-8-6-5-7-9-13/h5-9,14-15,17-18H,3-4,10-12H2,1-2H3
InChIKeyIZCSLZYRJXVDBT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.07
Rot. Bonds6

About 3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol

3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol (PubChem CID 65108444) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol
PubChem CID65108444
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC(c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-3-16(18,4-2)12-17-15-10-14(11-15)13-8-6-5-7-9-13/h5-9,14-15,17-18H,3-4,10-12H2,1-2H3
InChIKeyIZCSLZYRJXVDBT-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
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-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol (CID 65108444) is 3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1CC(c2ccccc2)C1.
What is the InChIKey of 3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol?
The InChIKey is IZCSLZYRJXVDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(18,4-2)12-17-15-10-14(11-15)13-8-6-5-7-9-13/h5-9,14-15,17-18H,3-4,10-12H2,1-2H3.
What are the key properties of 3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol?
3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol has a molecular weight of 247.38 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-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65108444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).