1-[(2-methylpropan-2-yl)oxy]hexan-3-imine

C10H21NO — CID 174583318

IUPAC1-[(2-methylpropan-2-yl)oxy]hexan-3-imine
SMILES[H]/N=C(\CCC)CCOC(C)(C)C
InChIInChI=1S/C10H21NO/c1-5-6-9(11)7-8-12-10(2,3)4/h11H,5-8H2,1-4H3/b11-9+
InChIKeyIYWVZZJAKCEUFP-PKNBQFBNSA-N
MW171.28 g/mol
LogP3.01
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxy]hexan-3-imine

1-[(2-methylpropan-2-yl)oxy]hexan-3-imine (PubChem CID 174583318) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]hexan-3-imine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]hexan-3-imine
PubChem CID174583318
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[(2-methylpropan-2-yl)oxy]hexan-3-imine
SMILES[H]/N=C(\CCC)CCOC(C)(C)C
InChIInChI=1S/C10H21NO/c1-5-6-9(11)7-8-12-10(2,3)4/h11H,5-8H2,1-4H3/b11-9+
InChIKeyIYWVZZJAKCEUFP-PKNBQFBNSA-N
XLogP3.01
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2-methylpropan-2-yl)oxy]hexan-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]hexan-3-imine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]hexan-3-imine (CID 174583318) is 1-[(2-methylpropan-2-yl)oxy]hexan-3-imine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]hexan-3-imine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]hexan-3-imine is [H]/N=C(\CCC)CCOC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]hexan-3-imine?
The InChIKey is IYWVZZJAKCEUFP-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-9(11)7-8-12-10(2,3)4/h11H,5-8H2,1-4H3/b11-9+.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]hexan-3-imine?
1-[(2-methylpropan-2-yl)oxy]hexan-3-imine has a molecular weight of 171.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]hexan-3-imine is sourced from PubChem (CID 174583318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).