4-(4-propan-2-yloxybutylamino)butan-2-ol

C11H25NO2 — CID 106009786

IUPAC4-(4-propan-2-yloxybutylamino)butan-2-ol
SMILESCC(O)CCNCCCCOC(C)C
InChIInChI=1S/C11H25NO2/c1-10(2)14-9-5-4-7-12-8-6-11(3)13/h10-13H,4-9H2,1-3H3
InChIKeyKRIWJGCTPWRSOV-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds9

About 4-(4-propan-2-yloxybutylamino)butan-2-ol

4-(4-propan-2-yloxybutylamino)butan-2-ol (PubChem CID 106009786) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-(4-propan-2-yloxybutylamino)butan-2-ol.

Molecular Properties

Compound Name4-(4-propan-2-yloxybutylamino)butan-2-ol
PubChem CID106009786
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-(4-propan-2-yloxybutylamino)butan-2-ol
SMILESCC(O)CCNCCCCOC(C)C
InChIInChI=1S/C11H25NO2/c1-10(2)14-9-5-4-7-12-8-6-11(3)13/h10-13H,4-9H2,1-3H3
InChIKeyKRIWJGCTPWRSOV-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
5-(4-methoxybutylamino)pentan-2-ol
CID 106131000
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine
CID 106010216
3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine
CID 106547392
3-(3-propan-2-yloxypropylamino)propanamide
CID 2502548
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
1,6-di(propan-2-yloxy)hexane
CID 10899702
N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide
CID 106011945
4-propan-2-yloxybutane-1,1-diol
CID 87074397

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxybutylamino)butan-2-ol?
The IUPAC name of 4-(4-propan-2-yloxybutylamino)butan-2-ol (CID 106009786) is 4-(4-propan-2-yloxybutylamino)butan-2-ol.
What is the SMILES notation for 4-(4-propan-2-yloxybutylamino)butan-2-ol?
The canonical SMILES for 4-(4-propan-2-yloxybutylamino)butan-2-ol is CC(O)CCNCCCCOC(C)C.
What is the InChIKey of 4-(4-propan-2-yloxybutylamino)butan-2-ol?
The InChIKey is KRIWJGCTPWRSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(2)14-9-5-4-7-12-8-6-11(3)13/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-(4-propan-2-yloxybutylamino)butan-2-ol?
4-(4-propan-2-yloxybutylamino)butan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxybutylamino)butan-2-ol is sourced from PubChem (CID 106009786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).