2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol

C11H26N2O — CID 144849079

IUPAC2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol
SMILESCC(C)CCNC(C)(C)CNCCO
InChIInChI=1S/C11H26N2O/c1-10(2)5-6-13-11(3,4)9-12-7-8-14/h10,12-14H,5-9H2,1-4H3
InChIKeyCJYHBEDYTHTMCD-UHFFFAOYSA-N
MW202.34 g/mol
LogP0.98
Rot. Bonds8

About 2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol

2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol (PubChem CID 144849079) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol
PubChem CID144849079
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol
SMILESCC(C)CCNC(C)(C)CNCCO
InChIInChI=1S/C11H26N2O/c1-10(2)5-6-13-11(3,4)9-12-7-8-14/h10,12-14H,5-9H2,1-4H3
InChIKeyCJYHBEDYTHTMCD-UHFFFAOYSA-N
XLogP0.98
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]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-methyl-N-(3-methylbutyl)butan-2-amine
CID 27708809
2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
CID 115326129
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
N-[2-(2-hydroxyethylamino)-2-methylpropyl]formamide
CID 143275696
2-(6-methylheptylamino)ethanol
CID 23342125
4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol
CID 111860116
2-methyl-2-[(5-methylhexylamino)methyl]propane-1,3-diol
CID 115325569
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
3-[(3-methylbutylamino)methyl]pentan-3-ol
CID 65107919
2-cyclopropyl-2-(3-methylbutylamino)propan-1-ol
CID 75453473
(3S)-3-[2-(2,2-dimethylpropylamino)ethyl]-5-methylhexan-1-ol
CID 134250980
3-methyl-N-(trifluoromethyl)butan-1-amine
CID 91339211

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol?
The IUPAC name of 2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol (CID 144849079) is 2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol is CC(C)CCNC(C)(C)CNCCO.
What is the InChIKey of 2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol?
The InChIKey is CJYHBEDYTHTMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2)5-6-13-11(3,4)9-12-7-8-14/h10,12-14H,5-9H2,1-4H3.
What are the key properties of 2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol?
2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol has a molecular weight of 202.34 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol is sourced from PubChem (CID 144849079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).