(E)-N-methoxy-2,2-dimethylpentan-3-imine

C8H17NO — CID 122659260

IUPAC(E)-N-methoxy-2,2-dimethylpentan-3-imine
SMILESCC/C(=N\OC)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-6-7(9-10-5)8(2,3)4/h6H2,1-5H3/b9-7+
InChIKeyRKVIMAPZPNBVBH-VQHVLOKHSA-N
MW143.23 g/mol
LogP2.44
Rot. Bonds2

About (E)-N-methoxy-2,2-dimethylpentan-3-imine

(E)-N-methoxy-2,2-dimethylpentan-3-imine (PubChem CID 122659260) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-N-methoxy-2,2-dimethylpentan-3-imine.

Molecular Properties

Compound Name(E)-N-methoxy-2,2-dimethylpentan-3-imine
PubChem CID122659260
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-N-methoxy-2,2-dimethylpentan-3-imine
SMILESCC/C(=N\OC)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-6-7(9-10-5)8(2,3)4/h6H2,1-5H3/b9-7+
InChIKeyRKVIMAPZPNBVBH-VQHVLOKHSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-2-methylpentan-3-imine
CID 72584290
2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine
CID 155014494
ethyl N'-methoxycarbamimidate
CID 20872274
(E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine)
CID 172954181
ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate
CID 76750210
(E)-N-methoxybutan-2-imine;methyl acetate
CID 91150497
N-[(3E)-3-methoxyiminopentan-2-ylidene]hydroxylamine
CID 172986045
N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine
CID 146609918
[(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate
CID 55250781
(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one
CID 156683675
2-N,5-N-dimethoxyhexane-2,5-diimine
CID 13034305
4-(3,3-dichloroprop-2-enoxy)-N-[4-(2-methoxyimino-3,3-dimethylbutoxy)phenyl]-N-methylaniline
CID 139900568

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-2,2-dimethylpentan-3-imine?
The IUPAC name of (E)-N-methoxy-2,2-dimethylpentan-3-imine (CID 122659260) is (E)-N-methoxy-2,2-dimethylpentan-3-imine.
What is the SMILES notation for (E)-N-methoxy-2,2-dimethylpentan-3-imine?
The canonical SMILES for (E)-N-methoxy-2,2-dimethylpentan-3-imine is CC/C(=N\OC)C(C)(C)C.
What is the InChIKey of (E)-N-methoxy-2,2-dimethylpentan-3-imine?
The InChIKey is RKVIMAPZPNBVBH-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-7(9-10-5)8(2,3)4/h6H2,1-5H3/b9-7+.
What are the key properties of (E)-N-methoxy-2,2-dimethylpentan-3-imine?
(E)-N-methoxy-2,2-dimethylpentan-3-imine has a molecular weight of 143.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-2,2-dimethylpentan-3-imine is sourced from PubChem (CID 122659260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).