N,3-diethyl-4-methyl-3-propoxypentan-2-imine

C13H27NO — CID 153491819

IUPACN,3-diethyl-4-methyl-3-propoxypentan-2-imine
SMILESCCCOC(CC)(/C(C)=N/CC)C(C)C
InChIInChI=1S/C13H27NO/c1-7-10-15-13(8-2,11(4)5)12(6)14-9-3/h11H,7-10H2,1-6H3/b14-12+
InChIKeyQJOMGPDRGNOEMI-WYMLVPIESA-N
MW213.36 g/mol
LogP3.70
Rot. Bonds7

About N,3-diethyl-4-methyl-3-propoxypentan-2-imine

N,3-diethyl-4-methyl-3-propoxypentan-2-imine (PubChem CID 153491819) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,3-diethyl-4-methyl-3-propoxypentan-2-imine.

Molecular Properties

Compound NameN,3-diethyl-4-methyl-3-propoxypentan-2-imine
PubChem CID153491819
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,3-diethyl-4-methyl-3-propoxypentan-2-imine
SMILESCCCOC(CC)(/C(C)=N/CC)C(C)C
InChIInChI=1S/C13H27NO/c1-7-10-15-13(8-2,11(4)5)12(6)14-9-3/h11H,7-10H2,1-6H3/b14-12+
InChIKeyQJOMGPDRGNOEMI-WYMLVPIESA-N
XLogP3.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.70
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-methyl-3-propoxypentan-2-imine
CID 153491896
3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum
CID 153491621
3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine
CID 153491631
N-ethyl-3-methoxy-3-methylpentan-2-imine
CID 146600156
3-ethyl-2-ethyliminopentan-3-ol;europium
CID 153491784
3-ethyl-2-ethyliminohexan-3-ol;lanthanum
CID 153491876
2-ethoxy-2-ethyl-3-methylbutanoic acid
CID 116768994
1,1-dipropoxypropyl acetate
CID 141080960
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium
CID 153491806
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;promethium
CID 153491888
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium
CID 153491901
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lanthanum
CID 153491751

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-4-methyl-3-propoxypentan-2-imine?
The IUPAC name of N,3-diethyl-4-methyl-3-propoxypentan-2-imine (CID 153491819) is N,3-diethyl-4-methyl-3-propoxypentan-2-imine.
What is the SMILES notation for N,3-diethyl-4-methyl-3-propoxypentan-2-imine?
The canonical SMILES for N,3-diethyl-4-methyl-3-propoxypentan-2-imine is CCCOC(CC)(/C(C)=N/CC)C(C)C.
What is the InChIKey of N,3-diethyl-4-methyl-3-propoxypentan-2-imine?
The InChIKey is QJOMGPDRGNOEMI-WYMLVPIESA-N. The full InChI is InChI=1S/C13H27NO/c1-7-10-15-13(8-2,11(4)5)12(6)14-9-3/h11H,7-10H2,1-6H3/b14-12+.
What are the key properties of N,3-diethyl-4-methyl-3-propoxypentan-2-imine?
N,3-diethyl-4-methyl-3-propoxypentan-2-imine has a molecular weight of 213.36 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-4-methyl-3-propoxypentan-2-imine is sourced from PubChem (CID 153491819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).