3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine

C18H26FN — CID 90961976

IUPAC3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine
SMILES[H]/N=C/C(C)C(CC)CC1=CC2=C(CCC(F)C2)C2CC12
InChIInChI=1S/C18H26FN/c1-3-12(11(2)10-20)6-13-7-14-8-15(19)4-5-16(14)18-9-17(13)18/h7,10-12,15,17-18,20H,3-6,8-9H2,1-2H3/b20-10+
InChIKeyVFSCZQNMPRWMSO-KEBDBYFISA-N
MW275.41 g/mol
LogP5.08
Rot. Bonds5

About 3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine

3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine (PubChem CID 90961976) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is 3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine.

Molecular Properties

Compound Name3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine
PubChem CID90961976
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine
SMILES[H]/N=C/C(C)C(CC)CC1=CC2=C(CCC(F)C2)C2CC12
InChIInChI=1S/C18H26FN/c1-3-12(11(2)10-20)6-13-7-14-8-15(19)4-5-16(14)18-9-17(13)18/h7,10-12,15,17-18,20H,3-6,8-9H2,1-2H3/b20-10+
InChIKeyVFSCZQNMPRWMSO-KEBDBYFISA-N
XLogP5.08
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine with MolForge

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Related Compounds

[4-[2-(2-Ethylbutyl)-1-methylcyclopropyl]cyclohexa-1,3-dien-1-yl]methanimine
CID 91300856
4-(10-Cyclohexa-2,4-dien-1-yl-3,4,4a,9a-tetrahydroanthracen-9-yl)hexan-1-imine
CID 132124391
2-Methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine
CID 163655826

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine?
The IUPAC name of 3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine (CID 90961976) is 3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine.
What is the SMILES notation for 3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine?
The canonical SMILES for 3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine is [H]/N=C/C(C)C(CC)CC1=CC2=C(CCC(F)C2)C2CC12.
What is the InChIKey of 3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine?
The InChIKey is VFSCZQNMPRWMSO-KEBDBYFISA-N. The full InChI is InChI=1S/C18H26FN/c1-3-12(11(2)10-20)6-13-7-14-8-15(19)4-5-16(14)18-9-17(13)18/h7,10-12,15,17-18,20H,3-6,8-9H2,1-2H3/b20-10+.
What are the key properties of 3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine?
3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine has a molecular weight of 275.41 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine is sourced from PubChem (CID 90961976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).