5-(2-methylbutylamino)pentan-2-ol

C10H23NO — CID 107267802

IUPAC5-(2-methylbutylamino)pentan-2-ol
SMILESCCC(C)CNCCCC(C)O
InChIInChI=1S/C10H23NO/c1-4-9(2)8-11-7-5-6-10(3)12/h9-12H,4-8H2,1-3H3
InChIKeyUIMYVOOWFOULPF-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds7

About 5-(2-methylbutylamino)pentan-2-ol

5-(2-methylbutylamino)pentan-2-ol (PubChem CID 107267802) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 5-(2-methylbutylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(2-methylbutylamino)pentan-2-ol
PubChem CID107267802
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name5-(2-methylbutylamino)pentan-2-ol
SMILESCCC(C)CNCCCC(C)O
InChIInChI=1S/C10H23NO/c1-4-9(2)8-11-7-5-6-10(3)12/h9-12H,4-8H2,1-3H3
InChIKeyUIMYVOOWFOULPF-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
1-(2-methylbutylamino)pentan-3-ol
CID 115887931
4-methyl-1-(2-methylbutylamino)pentan-3-ol
CID 115887689
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
(2S)-2-amino-6-(2-methylbutylamino)hexanoic acid
CID 89009383
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
5-(prop-2-ynylamino)pentan-2-ol
CID 106122641
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184
4-[3-(2-methylbutylamino)propyl]phenol
CID 115887589

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutylamino)pentan-2-ol?
The IUPAC name of 5-(2-methylbutylamino)pentan-2-ol (CID 107267802) is 5-(2-methylbutylamino)pentan-2-ol.
What is the SMILES notation for 5-(2-methylbutylamino)pentan-2-ol?
The canonical SMILES for 5-(2-methylbutylamino)pentan-2-ol is CCC(C)CNCCCC(C)O.
What is the InChIKey of 5-(2-methylbutylamino)pentan-2-ol?
The InChIKey is UIMYVOOWFOULPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-9(2)8-11-7-5-6-10(3)12/h9-12H,4-8H2,1-3H3.
What are the key properties of 5-(2-methylbutylamino)pentan-2-ol?
5-(2-methylbutylamino)pentan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutylamino)pentan-2-ol is sourced from PubChem (CID 107267802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).