5-[methyl(2-methylbutyl)amino]pentan-1-ol

C11H25NO — CID 62227275

IUPAC5-[methyl(2-methylbutyl)amino]pentan-1-ol
SMILESCCC(C)CN(C)CCCCCO
InChIInChI=1S/C11H25NO/c1-4-11(2)10-12(3)8-6-5-7-9-13/h11,13H,4-10H2,1-3H3
InChIKeyLIZSRLGZWBRKNC-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.13
Rot. Bonds8

About 5-[methyl(2-methylbutyl)amino]pentan-1-ol

5-[methyl(2-methylbutyl)amino]pentan-1-ol (PubChem CID 62227275) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-[methyl(2-methylbutyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl(2-methylbutyl)amino]pentan-1-ol
PubChem CID62227275
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5-[methyl(2-methylbutyl)amino]pentan-1-ol
SMILESCCC(C)CN(C)CCCCCO
InChIInChI=1S/C11H25NO/c1-4-11(2)10-12(3)8-6-5-7-9-13/h11,13H,4-10H2,1-3H3
InChIKeyLIZSRLGZWBRKNC-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[methyl(2-methylbutyl)amino]pentan-1-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

5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol
CID 107203582
5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol
CID 107203593
N-(3-bromopropyl)-N,2-dimethylbutan-1-amine
CID 61288758
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
5-[2-ethylhexyl(methyl)amino]pentan-1-ol
CID 107203981
2-[2-[methyl(2-methylbutyl)amino]ethoxy]ethanol
CID 61070692
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol
CID 169214639
3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide
CID 107204205
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-methylbutyl)amino]pentan-1-ol?
The IUPAC name of 5-[methyl(2-methylbutyl)amino]pentan-1-ol (CID 62227275) is 5-[methyl(2-methylbutyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl(2-methylbutyl)amino]pentan-1-ol?
The canonical SMILES for 5-[methyl(2-methylbutyl)amino]pentan-1-ol is CCC(C)CN(C)CCCCCO.
What is the InChIKey of 5-[methyl(2-methylbutyl)amino]pentan-1-ol?
The InChIKey is LIZSRLGZWBRKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-11(2)10-12(3)8-6-5-7-9-13/h11,13H,4-10H2,1-3H3.
What are the key properties of 5-[methyl(2-methylbutyl)amino]pentan-1-ol?
5-[methyl(2-methylbutyl)amino]pentan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-methylbutyl)amino]pentan-1-ol is sourced from PubChem (CID 62227275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).