N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine

C17H29F2N — CID 126626393

IUPACN-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine
SMILESC=NC(F)(F)C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C17H29F2N/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18,19)20-2/h13-16H,2-12H2,1H3
InChIKeyGQAHYQDIZJHXPC-UHFFFAOYSA-N
MW285.42 g/mol
LogP5.69
Rot. Bonds5

About N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine

N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine (PubChem CID 126626393) has the molecular formula C17H29F2N and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine.

Molecular Properties

Compound NameN-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine
PubChem CID126626393
Molecular FormulaC17H29F2N
Molecular Weight285.42 g/mol
Exact Mass285.23
IUPAC NameN-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine
SMILESC=NC(F)(F)C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C17H29F2N/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18,19)20-2/h13-16H,2-12H2,1H3
InChIKeyGQAHYQDIZJHXPC-UHFFFAOYSA-N
XLogP5.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.42
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-(2,2,3,3,3-pentafluoropropyl)-4-(4-propylcyclohexyl)cyclohexane
CID 23236775
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659044
1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659073
1-cyclohexyl-6-propylcyclodecane
CID 58552139
3-propylbicyclo[4.2.0]octane
CID 145186098
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934

Frequently Asked Questions

What is the IUPAC name of N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine?
The IUPAC name of N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine (CID 126626393) is N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine.
What is the SMILES notation for N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine?
The canonical SMILES for N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine is C=NC(F)(F)C1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine?
The InChIKey is GQAHYQDIZJHXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F2N/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18,19)20-2/h13-16H,2-12H2,1H3.
What are the key properties of N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine?
N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine has a molecular weight of 285.42 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine is sourced from PubChem (CID 126626393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).