N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine

C15H25F2NO — CID 105179333

IUPACN-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2NO/c1-2-9-18-14(13-4-3-10-19-11-13)12-5-7-15(16,17)8-6-12/h11-12,14,18H,2-10H2,1H3
InChIKeyPNQGJMGHYSTXJZ-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.87
Rot. Bonds5

About N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine

N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine (PubChem CID 105179333) has the molecular formula C15H25F2NO and a molecular weight of 273.37 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
PubChem CID105179333
Molecular FormulaC15H25F2NO
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC NameN-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2NO/c1-2-9-18-14(13-4-3-10-19-11-13)12-5-7-15(16,17)8-6-12/h11-12,14,18H,2-10H2,1H3
InChIKeyPNQGJMGHYSTXJZ-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312261
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312262
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517059
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104058658
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 104058659
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 104058660
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104059227
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104059228
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104059229
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105033381
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105179251
N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179253

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine (CID 105179333) is N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine is CCCNC(C1=COCCC1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine?
The InChIKey is PNQGJMGHYSTXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO/c1-2-9-18-14(13-4-3-10-19-11-13)12-5-7-15(16,17)8-6-12/h11-12,14,18H,2-10H2,1H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine?
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine has a molecular weight of 273.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105179333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).