5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

C14H31NO2 — CID 106810597

IUPAC5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(C)OCCCC(CC)(CO)NC(C)C
InChIInChI=1S/C14H31NO2/c1-6-13(5)17-10-8-9-14(7-2,11-16)15-12(3)4/h12-13,15-16H,6-11H2,1-5H3
InChIKeyRPPZRDYVMACDGK-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.72
Rot. Bonds10

About 5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 106810597) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID106810597
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(C)OCCCC(CC)(CO)NC(C)C
InChIInChI=1S/C14H31NO2/c1-6-13(5)17-10-8-9-14(7-2,11-16)15-12(3)4/h12-13,15-16H,6-11H2,1-5H3
InChIKeyRPPZRDYVMACDGK-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.72
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-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810599
2-ethyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810631
2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)pentan-1-ol
CID 106810300
2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol
CID 106810270
2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol
CID 106810166
5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810147
2-ethyl-5-[2-methoxyethyl(methyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106809549
5-(3,4-dimethylphenoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810494
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
2-ethyl-2-(ethylamino)-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 106810377
5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811392
2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol
CID 106810269

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (CID 106810597) is 5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is CCC(C)OCCCC(CC)(CO)NC(C)C.
What is the InChIKey of 5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is RPPZRDYVMACDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-6-13(5)17-10-8-9-14(7-2,11-16)15-12(3)4/h12-13,15-16H,6-11H2,1-5H3.
What are the key properties of 5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106810597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).