2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol

C15H34N2O — CID 62260774

IUPAC2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol
SMILESCCCNCC(C)(CCC)CN(CCC)CCO
InChIInChI=1S/C15H34N2O/c1-5-8-15(4,13-16-9-6-2)14-17(10-7-3)11-12-18/h16,18H,5-14H2,1-4H3
InChIKeyWOYYHTPMOXAUIW-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.50
Rot. Bonds12

About 2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol

2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol (PubChem CID 62260774) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol
PubChem CID62260774
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol
SMILESCCCNCC(C)(CCC)CN(CCC)CCO
InChIInChI=1S/C15H34N2O/c1-5-8-15(4,13-16-9-6-2)14-17(10-7-3)11-12-18/h16,18H,5-14H2,1-4H3
InChIKeyWOYYHTPMOXAUIW-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-methyl-2-(methylaminomethyl)pentyl]-propylamino]ethanol
CID 62260772
2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62257945
N',2-dimethyl-N,N,2-tripropylpropane-1,3-diamine
CID 62264130
2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056370
2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol
CID 55051933
2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
CID 62256428
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
CID 63494582
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786
N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine
CID 63493237
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine
CID 62261172
2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol
CID 64999932

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol?
The IUPAC name of 2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol (CID 62260774) is 2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol?
The canonical SMILES for 2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol is CCCNCC(C)(CCC)CN(CCC)CCO.
What is the InChIKey of 2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol?
The InChIKey is WOYYHTPMOXAUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-5-8-15(4,13-16-9-6-2)14-17(10-7-3)11-12-18/h16,18H,5-14H2,1-4H3.
What are the key properties of 2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol?
2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol has a molecular weight of 258.45 g/mol, XLogP of 2.50, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol is sourced from PubChem (CID 62260774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).