4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol

C14H31NO2 — CID 66224399

IUPAC4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)OCCC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-7-15-14(6,11-16)10-12(2)17-9-8-13(3,4)5/h12,15-16H,7-11H2,1-6H3
InChIKeyTYZBIQJDCOVSJE-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.58
Rot. Bonds8

About 4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol

4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 66224399) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID66224399
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)OCCC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-7-15-14(6,11-16)10-12(2)17-9-8-13(3,4)5/h12,15-16H,7-11H2,1-6H3
InChIKeyTYZBIQJDCOVSJE-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol
CID 64807509
2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol
CID 82793916
2-(ethylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450767
4-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 114158146
2-(ethylamino)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 64803827
3-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpropan-1-ol
CID 66226660
2-methyl-2-(methylamino)-4-propoxypentan-1-ol
CID 64808553
2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
CID 64809987
2-(ethylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutan-1-ol
CID 102723478
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 106668524
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64810828
4-[bis(2-methoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
CID 64826984

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol (CID 66224399) is 4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CC(C)OCCC(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is TYZBIQJDCOVSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-7-15-14(6,11-16)10-12(2)17-9-8-13(3,4)5/h12,15-16H,7-11H2,1-6H3.
What are the key properties of 4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol?
4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 66224399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).