3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol

C10H24N2O — CID 65111554

IUPAC3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCN(C)C
InChIInChI=1S/C10H24N2O/c1-5-10(13,6-2)9-11-7-8-12(3)4/h11,13H,5-9H2,1-4H3
InChIKeyFGQGLXWBVJFIRQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.69
Rot. Bonds7

About 3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol

3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol (PubChem CID 65111554) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol
PubChem CID65111554
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCN(C)C
InChIInChI=1S/C10H24N2O/c1-5-10(13,6-2)9-11-7-8-12(3)4/h11,13H,5-9H2,1-4H3
InChIKeyFGQGLXWBVJFIRQ-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol 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

3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol
CID 114493091
1-(dimethylamino)-3-[2-(dimethylamino)ethylamino]-2-methylpropan-2-ol
CID 106147764
4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
CID 77056368
3-[(3-methylbutylamino)methyl]pentan-3-ol
CID 65107919
3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine
CID 59355176
3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 79039842
N'-[2-(dimethylamino)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28572535
3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide
CID 65111221
4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid
CID 65111208
3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol
CID 114493463

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol (CID 65111554) is 3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCCN(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol?
The InChIKey is FGQGLXWBVJFIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-10(13,6-2)9-11-7-8-12(3)4/h11,13H,5-9H2,1-4H3.
What are the key properties of 3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol?
3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol has a molecular weight of 188.31 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65111554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).