N-ethyl-3-methoxy-3-methylpentan-2-imine

C9H19NO — CID 146600156

IUPACN-ethyl-3-methoxy-3-methylpentan-2-imine
SMILESCC/N=C(\C)C(C)(CC)OC
InChIInChI=1S/C9H19NO/c1-6-9(4,11-5)8(3)10-7-2/h6-7H2,1-5H3/b10-8+
InChIKeyKUNXXNNZKXAYJP-CSKARUKUSA-N
MW157.26 g/mol
LogP2.28
Rot. Bonds4

About N-ethyl-3-methoxy-3-methylpentan-2-imine

N-ethyl-3-methoxy-3-methylpentan-2-imine (PubChem CID 146600156) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methylpentan-2-imine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methylpentan-2-imine
PubChem CID146600156
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-3-methoxy-3-methylpentan-2-imine
SMILESCC/N=C(\C)C(C)(CC)OC
InChIInChI=1S/C9H19NO/c1-6-9(4,11-5)8(3)10-7-2/h6-7H2,1-5H3/b10-8+
InChIKeyKUNXXNNZKXAYJP-CSKARUKUSA-N
XLogP2.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methylpentan-2-imine?
The IUPAC name of N-ethyl-3-methoxy-3-methylpentan-2-imine (CID 146600156) is N-ethyl-3-methoxy-3-methylpentan-2-imine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methylpentan-2-imine?
The canonical SMILES for N-ethyl-3-methoxy-3-methylpentan-2-imine is CC/N=C(\C)C(C)(CC)OC.
What is the InChIKey of N-ethyl-3-methoxy-3-methylpentan-2-imine?
The InChIKey is KUNXXNNZKXAYJP-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-9(4,11-5)8(3)10-7-2/h6-7H2,1-5H3/b10-8+.
What are the key properties of N-ethyl-3-methoxy-3-methylpentan-2-imine?
N-ethyl-3-methoxy-3-methylpentan-2-imine has a molecular weight of 157.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methylpentan-2-imine is sourced from PubChem (CID 146600156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).