N-ethyl-3-methyl-3-propoxypentan-2-imine

C11H23NO — CID 153491896

IUPACN-ethyl-3-methyl-3-propoxypentan-2-imine
SMILESCCCOC(C)(CC)/C(C)=N/CC
InChIInChI=1S/C11H23NO/c1-6-9-13-11(5,7-2)10(4)12-8-3/h6-9H2,1-5H3/b12-10+
InChIKeyWBUQBHNYORMXKW-ZRDIBKRKSA-N
MW185.31 g/mol
LogP3.06
Rot. Bonds6

About N-ethyl-3-methyl-3-propoxypentan-2-imine

N-ethyl-3-methyl-3-propoxypentan-2-imine (PubChem CID 153491896) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-propoxypentan-2-imine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-propoxypentan-2-imine
PubChem CID153491896
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-3-methyl-3-propoxypentan-2-imine
SMILESCCCOC(C)(CC)/C(C)=N/CC
InChIInChI=1S/C11H23NO/c1-6-9-13-11(5,7-2)10(4)12-8-3/h6-9H2,1-5H3/b12-10+
InChIKeyWBUQBHNYORMXKW-ZRDIBKRKSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methoxy-3-methylpentan-2-imine
CID 146600156
N,3-diethyl-4-methyl-3-propoxypentan-2-imine
CID 153491819
3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine
CID 153491631
3-ethyl-2-ethyliminopentan-3-ol;europium
CID 153491784
4-methoxy-2,4-dimethyl-2-propoxypentanoic acid
CID 114989299
1-(1,1-dipropoxyethoxy)propane
CID 21433420
3-ethyl-2-ethyliminohexan-3-ol;lanthanum
CID 153491876
(E)-3,3-dimethyl-N-propoxybutan-2-imine
CID 88538853
methane;tris(2-methyl-2-propoxypropane)
CID 160767059
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium
CID 153491901
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;promethium
CID 153491888
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lanthanum
CID 153491751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-propoxypentan-2-imine?
The IUPAC name of N-ethyl-3-methyl-3-propoxypentan-2-imine (CID 153491896) is N-ethyl-3-methyl-3-propoxypentan-2-imine.
What is the SMILES notation for N-ethyl-3-methyl-3-propoxypentan-2-imine?
The canonical SMILES for N-ethyl-3-methyl-3-propoxypentan-2-imine is CCCOC(C)(CC)/C(C)=N/CC.
What is the InChIKey of N-ethyl-3-methyl-3-propoxypentan-2-imine?
The InChIKey is WBUQBHNYORMXKW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-9-13-11(5,7-2)10(4)12-8-3/h6-9H2,1-5H3/b12-10+.
What are the key properties of N-ethyl-3-methyl-3-propoxypentan-2-imine?
N-ethyl-3-methyl-3-propoxypentan-2-imine has a molecular weight of 185.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-propoxypentan-2-imine is sourced from PubChem (CID 153491896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).