5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol

C13H22N2O — CID 82367205

IUPAC5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol
SMILESCN(C)c1ccc(C(N)CCCCO)cc1
InChIInChI=1S/C13H22N2O/c1-15(2)12-8-6-11(7-9-12)13(14)5-3-4-10-16/h6-9,13,16H,3-5,10,14H2,1-2H3
InChIKeyLEXKSLSZWOMVQH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.91
Rot. Bonds6

About 5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol

5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol (PubChem CID 82367205) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol.

Molecular Properties

Compound Name5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol
PubChem CID82367205
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol
SMILESCN(C)c1ccc(C(N)CCCCO)cc1
InChIInChI=1S/C13H22N2O/c1-15(2)12-8-6-11(7-9-12)13(14)5-3-4-10-16/h6-9,13,16H,3-5,10,14H2,1-2H3
InChIKeyLEXKSLSZWOMVQH-UHFFFAOYSA-N
XLogP1.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminododecyl)-N,N-dimethylaniline
CID 154320367
4-(1-amino-5-methylhexyl)-N,N-dimethylaniline
CID 105177155
4-(1-aminopent-4-ynyl)-N,N-dimethylaniline
CID 105149189
5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
CID 107317121
5-amino-5-(3,4-difluorophenyl)pentan-1-ol
CID 82367220
(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride
CID 171212662
5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol
CID 107204561
(3S)-3-amino-3-[4-(dimethylamino)phenyl]propanenitrile
CID 95436537
4-[(1S)-1-aminobut-3-enyl]-N,N-dimethylaniline
CID 55270314
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
methyl 4-[(1R)-1-amino-4-hydroxybutyl]benzoate;hydrochloride
CID 171212703
4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105136553

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol?
The IUPAC name of 5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol (CID 82367205) is 5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol.
What is the SMILES notation for 5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol?
The canonical SMILES for 5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol is CN(C)c1ccc(C(N)CCCCO)cc1.
What is the InChIKey of 5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol?
The InChIKey is LEXKSLSZWOMVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(2)12-8-6-11(7-9-12)13(14)5-3-4-10-16/h6-9,13,16H,3-5,10,14H2,1-2H3.
What are the key properties of 5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol?
5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol is sourced from PubChem (CID 82367205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).