5-(4-methoxybutylamino)pentan-2-ol

C10H23NO2 — CID 106131000

IUPAC5-(4-methoxybutylamino)pentan-2-ol
SMILESCOCCCCNCCCC(C)O
InChIInChI=1S/C10H23NO2/c1-10(12)6-5-8-11-7-3-4-9-13-2/h10-12H,3-9H2,1-2H3
InChIKeyRZJSEULCUCOBDC-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.16
Rot. Bonds9

About 5-(4-methoxybutylamino)pentan-2-ol

5-(4-methoxybutylamino)pentan-2-ol (PubChem CID 106131000) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-(4-methoxybutylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(4-methoxybutylamino)pentan-2-ol
PubChem CID106131000
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name5-(4-methoxybutylamino)pentan-2-ol
SMILESCOCCCCNCCCC(C)O
InChIInChI=1S/C10H23NO2/c1-10(12)6-5-8-11-7-3-4-9-13-2/h10-12H,3-9H2,1-2H3
InChIKeyRZJSEULCUCOBDC-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167
methane;7-methoxyheptan-2-ol
CID 158258066
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
4-(4-propan-2-yloxybutylamino)butan-2-ol
CID 106009786
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol
CID 106130932
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
butane-1,3-diol;4-methoxybutan-1-ol
CID 87928957
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybutylamino)pentan-2-ol?
The IUPAC name of 5-(4-methoxybutylamino)pentan-2-ol (CID 106131000) is 5-(4-methoxybutylamino)pentan-2-ol.
What is the SMILES notation for 5-(4-methoxybutylamino)pentan-2-ol?
The canonical SMILES for 5-(4-methoxybutylamino)pentan-2-ol is COCCCCNCCCC(C)O.
What is the InChIKey of 5-(4-methoxybutylamino)pentan-2-ol?
The InChIKey is RZJSEULCUCOBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-10(12)6-5-8-11-7-3-4-9-13-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 5-(4-methoxybutylamino)pentan-2-ol?
5-(4-methoxybutylamino)pentan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybutylamino)pentan-2-ol is sourced from PubChem (CID 106131000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).