2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol

C17H27NO — CID 66181051

IUPAC2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CC(c2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-13(2)11-17(3,19)12-18-16-9-15(10-16)14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3
InChIKeyRDPFBBFFMDRXRZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.32
Rot. Bonds6

About 2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol

2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol (PubChem CID 66181051) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol
PubChem CID66181051
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CC(c2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-13(2)11-17(3,19)12-18-16-9-15(10-16)14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3
InChIKeyRDPFBBFFMDRXRZ-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66179964
2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 66178527
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66181283
3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol
CID 65108444
2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
CID 103783342
2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 104530190
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
CID 66170006
N-tert-butyl-2-[(3-phenylcyclobutyl)amino]acetamide
CID 115356209
(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
CID 93252683
2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
CID 66180282
2,4-dimethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pentan-2-ol
CID 103982395
1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol
CID 66179546

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol (CID 66181051) is 2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol is CC(C)CC(C)(O)CNC1CC(c2ccccc2)C1.
What is the InChIKey of 2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol?
The InChIKey is RDPFBBFFMDRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)11-17(3,19)12-18-16-9-15(10-16)14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol?
2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol is sourced from PubChem (CID 66181051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).