5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol

C18H32N2O — CID 107204531

IUPAC5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol
SMILESCNC(c1ccccc1)C(C)(C)CN(C)CCCCCO
InChIInChI=1S/C18H32N2O/c1-18(2,15-20(4)13-9-6-10-14-21)17(19-3)16-11-7-5-8-12-16/h5,7-8,11-12,17,19,21H,6,9-10,13-15H2,1-4H3
InChIKeyJNRHLKGUQCRCDM-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.07
Rot. Bonds10

About 5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol

5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol (PubChem CID 107204531) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol
PubChem CID107204531
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol
SMILESCNC(c1ccccc1)C(C)(C)CN(C)CCCCCO
InChIInChI=1S/C18H32N2O/c1-18(2,15-20(4)13-9-6-10-14-21)17(19-3)16-11-7-5-8-12-16/h5,7-8,11-12,17,19,21H,6,9-10,13-15H2,1-4H3
InChIKeyJNRHLKGUQCRCDM-UHFFFAOYSA-N
XLogP3.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine
CID 63699668
2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol
CID 63193901
5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
CID 107204642
5-[(3-amino-2,2-dimethylbutyl)-methylamino]pentan-1-ol
CID 107204560
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
5-[(2-amino-1-phenylethyl)-methylamino]pentan-1-ol
CID 107198422
N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 63195807
2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 107204145
1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 66454544
1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 63193468
5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol
CID 107204559
N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine
CID 63195623

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol (CID 107204531) is 5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol is CNC(c1ccccc1)C(C)(C)CN(C)CCCCCO.
What is the InChIKey of 5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol?
The InChIKey is JNRHLKGUQCRCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-18(2,15-20(4)13-9-6-10-14-21)17(19-3)16-11-7-5-8-12-16/h5,7-8,11-12,17,19,21H,6,9-10,13-15H2,1-4H3.
What are the key properties of 5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol?
5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol has a molecular weight of 292.47 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107204531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).