N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide

C19H31FN2O — CID 171400483

IUPACN-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide
SMILESC/C(=N\NC(=O)C1CCCCC1F)C1CCC2CCCCC2C1
InChIInChI=1S/C19H31FN2O/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)21-22-19(23)17-8-4-5-9-18(17)20/h14-18H,2-12H2,1H3,(H,22,23)/b21-13+
InChIKeyFGNUXMHSYZNUSN-FYJGNVAPSA-N
MW322.47 g/mol
LogP4.61
Rot. Bonds3

About N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide

N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide (PubChem CID 171400483) has the molecular formula C19H31FN2O and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide
PubChem CID171400483
Molecular FormulaC19H31FN2O
Molecular Weight322.47 g/mol
Exact Mass322.24
IUPAC NameN-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide
SMILESC/C(=N\NC(=O)C1CCCCC1F)C1CCC2CCCCC2C1
InChIInChI=1S/C19H31FN2O/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)21-22-19(23)17-8-4-5-9-18(17)20/h14-18H,2-12H2,1H3,(H,22,23)/b21-13+
InChIKeyFGNUXMHSYZNUSN-FYJGNVAPSA-N
XLogP4.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide?
The IUPAC name of N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide (CID 171400483) is N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide is C/C(=N\NC(=O)C1CCCCC1F)C1CCC2CCCCC2C1.
What is the InChIKey of N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide?
The InChIKey is FGNUXMHSYZNUSN-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H31FN2O/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)21-22-19(23)17-8-4-5-9-18(17)20/h14-18H,2-12H2,1H3,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide?
N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide is sourced from PubChem (CID 171400483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).