N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine

C16H31N — CID 123758583

IUPACN-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine
SMILESCC(C)=CC(C)CC(CCN=C(C)C)C(C)C
InChIInChI=1S/C16H31N/c1-12(2)10-15(7)11-16(13(3)4)8-9-17-14(5)6/h10,13,15-16H,8-9,11H2,1-7H3
InChIKeyMPYYFGIODJZASL-UHFFFAOYSA-N
MW237.43 g/mol
LogP5.12
Rot. Bonds7

About N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine

N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine (PubChem CID 123758583) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine.

Molecular Properties

Compound NameN-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine
PubChem CID123758583
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine
SMILESCC(C)=CC(C)CC(CCN=C(C)C)C(C)C
InChIInChI=1S/C16H31N/c1-12(2)10-15(7)11-16(13(3)4)8-9-17-14(5)6/h10,13,15-16H,8-9,11H2,1-7H3
InChIKeyMPYYFGIODJZASL-UHFFFAOYSA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 70585416
4-(2,4-dimethylpentyl)-6-ethyl-7-methyl-3,4-dihydro-2H-azepine
CID 70894676
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CID 88276317
7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine
CID 91167971
5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
CID 91201172
5-Butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine
CID 91242030
(8Z)-4,8-dimethyl-3,3a,4,7-tetrahydro-2H-cycloocta[b]pyrrole
CID 91594120
(2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine
CID 123142784
(Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine
CID 123148313
5-Methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydropyridine
CID 123216093

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine?
The IUPAC name of N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine (CID 123758583) is N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine.
What is the SMILES notation for N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine?
The canonical SMILES for N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine is CC(C)=CC(C)CC(CCN=C(C)C)C(C)C.
What is the InChIKey of N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine?
The InChIKey is MPYYFGIODJZASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)10-15(7)11-16(13(3)4)8-9-17-14(5)6/h10,13,15-16H,8-9,11H2,1-7H3.
What are the key properties of N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine?
N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine has a molecular weight of 237.43 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-3-propan-2-yloct-6-enyl)propan-2-imine is sourced from PubChem (CID 123758583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).