3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine

C13H27NO — CID 153491631

IUPAC3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine
SMILESCCCOC(C)(CCC)/C(C)=N/C(C)C
InChIInChI=1S/C13H27NO/c1-7-9-13(6,15-10-8-2)12(5)14-11(3)4/h11H,7-10H2,1-6H3/b14-12+
InChIKeyVQNFYWUCPNJTSR-WYMLVPIESA-N
MW213.36 g/mol
LogP3.84
Rot. Bonds7

About 3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine

3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine (PubChem CID 153491631) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine
PubChem CID153491631
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine
SMILESCCCOC(C)(CCC)/C(C)=N/C(C)C
InChIInChI=1S/C13H27NO/c1-7-9-13(6,15-10-8-2)12(5)14-11(3)4/h11H,7-10H2,1-6H3/b14-12+
InChIKeyVQNFYWUCPNJTSR-WYMLVPIESA-N
XLogP3.84
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 ≤ 53.84
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

3-methyl-2-propan-2-yliminohexan-3-ol;scandium
CID 153491828
4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
CID 153491768
N-ethyl-3-methyl-3-propoxypentan-2-imine
CID 153491896
3-ethyl-2-propan-2-yliminohexan-3-ol;europium
CID 153491758
erbium;3-ethyl-2-propan-2-yliminohexan-3-ol
CID 153491711
3-chloro-3-methyl-N-propan-2-ylbutan-2-imine
CID 12696210
N,3-diethyl-4-methyl-3-propoxypentan-2-imine
CID 153491819
2,2,6,6,7-pentamethyl-3,3-dipropoxyoctane
CID 139690898
cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)
CID 90330755
1-(1,1-dipropoxyethoxy)propane
CID 21433420
3-ethyl-2-methyl-4-propan-2-yliminopentan-3-ol;promethium
CID 153491674
1,1,1-trifluoro-N-propan-2-ylpropan-2-imine
CID 2759496

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine?
The IUPAC name of 3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine (CID 153491631) is 3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine?
The canonical SMILES for 3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine is CCCOC(C)(CCC)/C(C)=N/C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine?
The InChIKey is VQNFYWUCPNJTSR-WYMLVPIESA-N. The full InChI is InChI=1S/C13H27NO/c1-7-9-13(6,15-10-8-2)12(5)14-11(3)4/h11H,7-10H2,1-6H3/b14-12+.
What are the key properties of 3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine?
3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine has a molecular weight of 213.36 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine is sourced from PubChem (CID 153491631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).