4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol

C14H31NO2 — CID 142726781

IUPAC4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol
SMILESCCN(C(C)C(C)C(C)O)C(C)C(C)C(C)O
InChIInChI=1S/C14H31NO2/c1-8-15(11(4)9(2)13(6)16)12(5)10(3)14(7)17/h9-14,16-17H,8H2,1-7H3
InChIKeyZSVYEZCBGKUTCC-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.12
Rot. Bonds7

About 4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol

4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol (PubChem CID 142726781) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol.

Molecular Properties

Compound Name4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol
PubChem CID142726781
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol
SMILESCCN(C(C)C(C)C(C)O)C(C)C(C)C(C)O
InChIInChI=1S/C14H31NO2/c1-8-15(11(4)9(2)13(6)16)12(5)10(3)14(7)17/h9-14,16-17H,8H2,1-7H3
InChIKeyZSVYEZCBGKUTCC-UHFFFAOYSA-N
XLogP2.12
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol?
The IUPAC name of 4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol (CID 142726781) is 4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol.
What is the SMILES notation for 4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol?
The canonical SMILES for 4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol is CCN(C(C)C(C)C(C)O)C(C)C(C)C(C)O.
What is the InChIKey of 4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol?
The InChIKey is ZSVYEZCBGKUTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-8-15(11(4)9(2)13(6)16)12(5)10(3)14(7)17/h9-14,16-17H,8H2,1-7H3.
What are the key properties of 4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol?
4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol is sourced from PubChem (CID 142726781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).