1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine

C15H24FN — CID 167030836

IUPAC1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine
SMILESCCCC1=CC=C(/N=C(\C)CF)C(C(C)C)C1
InChIInChI=1S/C15H24FN/c1-5-6-13-7-8-15(17-12(4)10-16)14(9-13)11(2)3/h7-8,11,14H,5-6,9-10H2,1-4H3/b17-12+
InChIKeyHGURXQHGUGNISA-SFQUDFHCSA-N
MW237.36 g/mol
LogP4.70
Rot. Bonds5

About 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine

1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine (PubChem CID 167030836) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine.

Molecular Properties

Compound Name1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine
PubChem CID167030836
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine
SMILESCCCC1=CC=C(/N=C(\C)CF)C(C(C)C)C1
InChIInChI=1S/C15H24FN/c1-5-6-13-7-8-15(17-12(4)10-16)14(9-13)11(2)3/h7-8,11,14H,5-6,9-10H2,1-4H3/b17-12+
InChIKeyHGURXQHGUGNISA-SFQUDFHCSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine
CID 155441645
2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline
CID 162619395
2-methyl-6-[(9Z,11E,13E)-15-methyl-14-tricyclo[6.6.2.04,16]hexadeca-1,5,9,11,13-pentaenyl]-3,4-dihydropyridine
CID 89431640
4-ethyl-N-[(Z)-1-(4-ethylcyclohexa-1,3-dien-1-yl)prop-1-enyl]-3-methylheptan-2-imine
CID 118198532
4-Hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine
CID 123287010
3-Methyl-7-methylidene-2-(2-methyl-1-prop-1-en-2-yl-4-propylcyclohexa-2,4-dien-1-yl)-3,4,5,6-tetrahydroazepine
CID 130217036
N-[3-[2-methyl-4-[(Z)-4-[(E)-2-methylbut-1-enyl]-6-methylideneoct-4-enyl]-6-methylidenecyclohexen-1-yl]prop-1-en-2-yl]propan-2-imine
CID 137466655
2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole
CID 142893753
N-[(Z)-1-(2,5-dimethylcyclohexa-2,4-dien-1-yl)prop-1-enyl]propan-2-imine
CID 156256735
6-Methyl-2-pentyl-4-propan-2-yl-3,4-dihydropyridine
CID 166853911
N-[5-[(3Z)-4,6-dimethylhepta-1,3,5-trien-2-yl]-4-(3-methylbutan-2-yl)-2-prop-1-en-2-ylcyclohexen-1-yl]-3-methylheptan-2-imine
CID 167292327
1-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohex-2-en-1-yl]-N-(6-methylcyclohexa-1,3-dien-1-yl)ethanimine
CID 170225631

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine?
The IUPAC name of 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine (CID 167030836) is 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine.
What is the SMILES notation for 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine?
The canonical SMILES for 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine is CCCC1=CC=C(/N=C(\C)CF)C(C(C)C)C1.
What is the InChIKey of 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine?
The InChIKey is HGURXQHGUGNISA-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-6-13-7-8-15(17-12(4)10-16)14(9-13)11(2)3/h7-8,11,14H,5-6,9-10H2,1-4H3/b17-12+.
What are the key properties of 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine?
1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine has a molecular weight of 237.36 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine is sourced from PubChem (CID 167030836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).