N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C15H26F2N2O — CID 107493238

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESNCCN(CC(F)F)C(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C15H26F2N2O/c16-14(17)10-19(8-7-18)15(20)13-6-5-11-3-1-2-4-12(11)9-13/h11-14H,1-10,18H2
InChIKeyIBXHOOHANSWTFF-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.65
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 107493238) has the molecular formula C15H26F2N2O and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID107493238
Molecular FormulaC15H26F2N2O
Molecular Weight288.38 g/mol
Exact Mass288.20
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESNCCN(CC(F)F)C(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C15H26F2N2O/c16-14(17)10-19(8-7-18)15(20)13-6-5-11-3-1-2-4-12(11)9-13/h11-14H,1-10,18H2
InChIKeyIBXHOOHANSWTFF-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 107493238) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is NCCN(CC(F)F)C(=O)C1CCC2CCCCC2C1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is IBXHOOHANSWTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O/c16-14(17)10-19(8-7-18)15(20)13-6-5-11-3-1-2-4-12(11)9-13/h11-14H,1-10,18H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107493238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).