2-(3-methyl-2-propan-2-ylbutoxy)ethanimine

C10H21NO — CID 89261696

IUPAC2-(3-methyl-2-propan-2-ylbutoxy)ethanimine
SMILES[H]/N=C/COCC(C(C)C)C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)10(9(3)4)7-12-6-5-11/h5,8-11H,6-7H2,1-4H3/b11-5+
InChIKeyUOLWHAKZSMJFDO-VZUCSPMQSA-N
MW171.28 g/mol
LogP2.58
Rot. Bonds6

About 2-(3-methyl-2-propan-2-ylbutoxy)ethanimine

2-(3-methyl-2-propan-2-ylbutoxy)ethanimine (PubChem CID 89261696) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(3-methyl-2-propan-2-ylbutoxy)ethanimine.

Molecular Properties

Compound Name2-(3-methyl-2-propan-2-ylbutoxy)ethanimine
PubChem CID89261696
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(3-methyl-2-propan-2-ylbutoxy)ethanimine
SMILES[H]/N=C/COCC(C(C)C)C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)10(9(3)4)7-12-6-5-11/h5,8-11H,6-7H2,1-4H3/b11-5+
InChIKeyUOLWHAKZSMJFDO-VZUCSPMQSA-N
XLogP2.58
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylhexoxy)ethanimine
CID 91588392
propane;propan-1-imine
CID 175287004
propane;propane-1,3-diimine
CID 142057441
2-(3-methyl-2-propan-2-ylbutoxy)acetic acid
CID 87847477
4-imino-1-methoxy-N-methylbutan-2-amine
CID 88905400
4-methylheptane-1,7-diimine
CID 139852006
2-diethoxysilyloxyethanimine
CID 151641076
3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
CID 58115661
4-imino-2-methylbutanal
CID 148810573
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethenoxy)ethenoxy]ethenoxy]ethenoxy]ethenoxy]ethenoxy]ethenoxy]ethenoxy]ethenoxy]ethenoxy]ethenoxy]ethanimine
CID 172878428
N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 91416511
propane-1,3-diimine
CID 18934492

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-propan-2-ylbutoxy)ethanimine?
The IUPAC name of 2-(3-methyl-2-propan-2-ylbutoxy)ethanimine (CID 89261696) is 2-(3-methyl-2-propan-2-ylbutoxy)ethanimine.
What is the SMILES notation for 2-(3-methyl-2-propan-2-ylbutoxy)ethanimine?
The canonical SMILES for 2-(3-methyl-2-propan-2-ylbutoxy)ethanimine is [H]/N=C/COCC(C(C)C)C(C)C.
What is the InChIKey of 2-(3-methyl-2-propan-2-ylbutoxy)ethanimine?
The InChIKey is UOLWHAKZSMJFDO-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)10(9(3)4)7-12-6-5-11/h5,8-11H,6-7H2,1-4H3/b11-5+.
What are the key properties of 2-(3-methyl-2-propan-2-ylbutoxy)ethanimine?
2-(3-methyl-2-propan-2-ylbutoxy)ethanimine has a molecular weight of 171.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-propan-2-ylbutoxy)ethanimine is sourced from PubChem (CID 89261696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).