2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol

C16H26N2O2 — CID 137154042

IUPAC2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol
SMILESCCc1cc(C)cc(C=NC(N)(CO)C(C)(C)C)c1O
InChIInChI=1S/C16H26N2O2/c1-6-12-7-11(2)8-13(14(12)20)9-18-16(17,10-19)15(3,4)5/h7-9,19-20H,6,10,17H2,1-5H3
InChIKeyPQNDPOCDPZHEKD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.38
Rot. Bonds4

About 2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol

2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol (PubChem CID 137154042) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol.

Molecular Properties

Compound Name2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol
PubChem CID137154042
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol
SMILESCCc1cc(C)cc(C=NC(N)(CO)C(C)(C)C)c1O
InChIInChI=1S/C16H26N2O2/c1-6-12-7-11(2)8-13(14(12)20)9-18-16(17,10-19)15(3,4)5/h7-9,19-20H,6,10,17H2,1-5H3
InChIKeyPQNDPOCDPZHEKD-UHFFFAOYSA-N
XLogP2.38
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol?
The IUPAC name of 2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol (CID 137154042) is 2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol.
What is the SMILES notation for 2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol?
The canonical SMILES for 2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol is CCc1cc(C)cc(C=NC(N)(CO)C(C)(C)C)c1O.
What is the InChIKey of 2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol?
The InChIKey is PQNDPOCDPZHEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-12-7-11(2)8-13(14(12)20)9-18-16(17,10-19)15(3,4)5/h7-9,19-20H,6,10,17H2,1-5H3.
What are the key properties of 2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol?
2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol has a molecular weight of 278.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol is sourced from PubChem (CID 137154042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).