1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol

C16H28N2O — CID 64818535

IUPAC1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol
SMILESCCN(CCCCC(C)(O)CN)c1ccccc1C
InChIInChI=1S/C16H28N2O/c1-4-18(15-10-6-5-9-14(15)2)12-8-7-11-16(3,19)13-17/h5-6,9-10,19H,4,7-8,11-13,17H2,1-3H3
InChIKeyLUHKUNDEFUBOGY-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.70
Rot. Bonds8

About 1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol

1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol (PubChem CID 64818535) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol
PubChem CID64818535
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol
SMILESCCN(CCCCC(C)(O)CN)c1ccccc1C
InChIInChI=1S/C16H28N2O/c1-4-18(15-10-6-5-9-14(15)2)12-8-7-11-16(3,19)13-17/h5-6,9-10,19H,4,7-8,11-13,17H2,1-3H3
InChIKeyLUHKUNDEFUBOGY-UHFFFAOYSA-N
XLogP2.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol (CID 64818535) is 1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol is CCN(CCCCC(C)(O)CN)c1ccccc1C.
What is the InChIKey of 1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol?
The InChIKey is LUHKUNDEFUBOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-18(15-10-6-5-9-14(15)2)12-8-7-11-16(3,19)13-17/h5-6,9-10,19H,4,7-8,11-13,17H2,1-3H3.
What are the key properties of 1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol?
1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol is sourced from PubChem (CID 64818535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).