5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol

C11H25NO2 — CID 103905392

IUPAC5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
SMILESCOCCC(C)NCCCC(C)CO
InChIInChI=1S/C11H25NO2/c1-10(9-13)5-4-7-12-11(2)6-8-14-3/h10-13H,4-9H2,1-3H3
InChIKeyIUKLCTUVGCQOHT-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.41
Rot. Bonds9

About 5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol

5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol (PubChem CID 103905392) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
PubChem CID103905392
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
SMILESCOCCC(C)NCCCC(C)CO
InChIInChI=1S/C11H25NO2/c1-10(9-13)5-4-7-12-11(2)6-8-14-3/h10-13H,4-9H2,1-3H3
InChIKeyIUKLCTUVGCQOHT-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.41
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

6-(4-methoxybutan-2-ylamino)hexan-3-ol
CID 115891785
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167
2-methyl-5-(nonan-2-ylamino)pentan-1-ol
CID 104862242
5-[(1-cyclopropyl-2-methoxyethyl)amino]-2-methylpentan-1-ol
CID 103905399
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 107320059
5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
CID 106158376
5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol
CID 106160068
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
CID 115688384

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol (CID 103905392) is 5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol is COCCC(C)NCCCC(C)CO.
What is the InChIKey of 5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol?
The InChIKey is IUKLCTUVGCQOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(9-13)5-4-7-12-11(2)6-8-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol?
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 103905392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).