3-amino-4-methyl-2-pentoxypentan-1-ol

C11H25NO2 — CID 114358183

IUPAC3-amino-4-methyl-2-pentoxypentan-1-ol
SMILESCCCCCOC(CO)C(N)C(C)C
InChIInChI=1S/C11H25NO2/c1-4-5-6-7-14-10(8-13)11(12)9(2)3/h9-11,13H,4-8,12H2,1-3H3
InChIKeyMPKKMGBOQTWIBR-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.54
Rot. Bonds8

About 3-amino-4-methyl-2-pentoxypentan-1-ol

3-amino-4-methyl-2-pentoxypentan-1-ol (PubChem CID 114358183) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-amino-4-methyl-2-pentoxypentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-pentoxypentan-1-ol
PubChem CID114358183
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-amino-4-methyl-2-pentoxypentan-1-ol
SMILESCCCCCOC(CO)C(N)C(C)C
InChIInChI=1S/C11H25NO2/c1-4-5-6-7-14-10(8-13)11(12)9(2)3/h9-11,13H,4-8,12H2,1-3H3
InChIKeyMPKKMGBOQTWIBR-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.54
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

3-amino-4-methyl-2-propoxypentan-1-ol
CID 114358171
3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol
CID 114358005
3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol
CID 114358105
3-amino-2-hexoxy-4-methoxybutan-1-ol
CID 114358118
(2S,3S,4S,5R)-2,5-di(nonoxy)hexane-1,3,4,6-tetrol
CID 175531662
2-amino-2-tridecoxyethanol
CID 121414991
1-pentoxyethanamine
CID 57262541
5-amino-2,3-dihexadecoxy-5-methylhexan-1-ol
CID 87133605
(2S,3R)-2,4-di(nonoxy)butane-1,3-diol
CID 175531574
methane;2-octadecoxypropan-1-ol
CID 178185801
2,4-dibutoxypentane-1,3-diol
CID 57041496
3-pentoxybutan-2-amine
CID 61352378

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-pentoxypentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-pentoxypentan-1-ol (CID 114358183) is 3-amino-4-methyl-2-pentoxypentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-pentoxypentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-pentoxypentan-1-ol is CCCCCOC(CO)C(N)C(C)C.
What is the InChIKey of 3-amino-4-methyl-2-pentoxypentan-1-ol?
The InChIKey is MPKKMGBOQTWIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-5-6-7-14-10(8-13)11(12)9(2)3/h9-11,13H,4-8,12H2,1-3H3.
What are the key properties of 3-amino-4-methyl-2-pentoxypentan-1-ol?
3-amino-4-methyl-2-pentoxypentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-pentoxypentan-1-ol is sourced from PubChem (CID 114358183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).