(E)-3-methyl-N-(4-methylpentoxy)butan-2-imine

C11H23NO — CID 58371706

IUPAC(E)-3-methyl-N-(4-methylpentoxy)butan-2-imine
SMILESC/C(=N\OCCCC(C)C)C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-6-8-13-12-11(5)10(3)4/h9-10H,6-8H2,1-5H3/b12-11+
InChIKeyKUVAATHUTNLJTC-VAWYXSNFSA-N
MW185.31 g/mol
LogP3.47
Rot. Bonds6

About (E)-3-methyl-N-(4-methylpentoxy)butan-2-imine

(E)-3-methyl-N-(4-methylpentoxy)butan-2-imine (PubChem CID 58371706) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (E)-3-methyl-N-(4-methylpentoxy)butan-2-imine.

Molecular Properties

Compound Name(E)-3-methyl-N-(4-methylpentoxy)butan-2-imine
PubChem CID58371706
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(E)-3-methyl-N-(4-methylpentoxy)butan-2-imine
SMILESC/C(=N\OCCCC(C)C)C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-6-8-13-12-11(5)10(3)4/h9-10H,6-8H2,1-5H3/b12-11+
InChIKeyKUVAATHUTNLJTC-VAWYXSNFSA-N
XLogP3.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethenoxy-2,4-dimethylpentan-3-imine
CID 15496258
5-Fluoro-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 88991472
N-methoxy-2,4-dimethylpentan-3-imine
CID 536466
3,4-dimethyl-5,6-dihydro-4H-1,2-oxazine
CID 12719496
3-Propan-2-yl-4,5-dihydro-1,2-oxazole
CID 19017381
(E)-N-hexoxy-3-methylbutan-2-imine
CID 21300316
N-pentoxypropan-2-imine
CID 22964105
3,5-dimethyl-5,6-dihydro-4H-oxazine
CID 22965989
2,2,4,4-tetramethyl-N-pentoxypentan-3-imine
CID 22970414
N-(2-methylpropoxy)butan-2-imine
CID 53815017
(E)-3-methyl-N-(5-methylhexoxy)butan-2-imine
CID 58313233
(E)-3-methyl-N-(6-methylheptoxy)butan-2-imine
CID 58462641

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-(4-methylpentoxy)butan-2-imine?
The IUPAC name of (E)-3-methyl-N-(4-methylpentoxy)butan-2-imine (CID 58371706) is (E)-3-methyl-N-(4-methylpentoxy)butan-2-imine.
What is the SMILES notation for (E)-3-methyl-N-(4-methylpentoxy)butan-2-imine?
The canonical SMILES for (E)-3-methyl-N-(4-methylpentoxy)butan-2-imine is C/C(=N\OCCCC(C)C)C(C)C.
What is the InChIKey of (E)-3-methyl-N-(4-methylpentoxy)butan-2-imine?
The InChIKey is KUVAATHUTNLJTC-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-6-8-13-12-11(5)10(3)4/h9-10H,6-8H2,1-5H3/b12-11+.
What are the key properties of (E)-3-methyl-N-(4-methylpentoxy)butan-2-imine?
(E)-3-methyl-N-(4-methylpentoxy)butan-2-imine has a molecular weight of 185.31 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-(4-methylpentoxy)butan-2-imine is sourced from PubChem (CID 58371706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).