(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol

C11H25NO2 — CID 97307244

IUPAC(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol
SMILESCOCCCCCN[C@H](C)[C@H](C)CO
InChIInChI=1S/C11H25NO2/c1-10(9-13)11(2)12-7-5-4-6-8-14-3/h10-13H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyYDTLSCPIBFAYMI-GHMZBOCLSA-N
MW203.33 g/mol
LogP1.41
Rot. Bonds9

About (2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol

(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol (PubChem CID 97307244) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol
PubChem CID97307244
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol
SMILESCOCCCCCN[C@H](C)[C@H](C)CO
InChIInChI=1S/C11H25NO2/c1-10(9-13)11(2)12-7-5-4-6-8-14-3/h10-13H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyYDTLSCPIBFAYMI-GHMZBOCLSA-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

5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine
CID 103779817
N-(3-methoxypropyl)-3-methylpentan-2-amine
CID 43205167
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
N-(3-methoxypropyl)-3-methylbutan-2-amine
CID 43205074
1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea
CID 111453729
3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456
3-ethyl-N-(3-methoxypropyl)pentan-2-amine
CID 63838999
1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106002074
5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167
3-(5-methoxypentylamino)-N-methylbutanamide
CID 115714834
N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
CID 29291947
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol?
The IUPAC name of (2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol (CID 97307244) is (2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol.
What is the SMILES notation for (2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol?
The canonical SMILES for (2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol is COCCCCCN[C@H](C)[C@H](C)CO.
What is the InChIKey of (2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol?
The InChIKey is YDTLSCPIBFAYMI-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(9-13)11(2)12-7-5-4-6-8-14-3/h10-13H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol?
(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-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 (2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 97307244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).