2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol

C15H25NO — CID 111522029

IUPAC2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol
SMILESCC(NCCCC(C)(C)CO)c1ccccc1
InChIInChI=1S/C15H25NO/c1-13(14-8-5-4-6-9-14)16-11-7-10-15(2,3)12-17/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3
InChIKeyLZPQQZDNNUVIFE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.14
Rot. Bonds7

About 2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol

2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol (PubChem CID 111522029) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol
PubChem CID111522029
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol
SMILESCC(NCCCC(C)(C)CO)c1ccccc1
InChIInChI=1S/C15H25NO/c1-13(14-8-5-4-6-9-14)16-11-7-10-15(2,3)12-17/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3
InChIKeyLZPQQZDNNUVIFE-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
4,4-dimethoxy-N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387384
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol
CID 19928719
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
2,2-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanenitrile
CID 65252952
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol (CID 111522029) is 2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol is CC(NCCCC(C)(C)CO)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol?
The InChIKey is LZPQQZDNNUVIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13(14-8-5-4-6-9-14)16-11-7-10-15(2,3)12-17/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol?
2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol is sourced from PubChem (CID 111522029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).