N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

C16H26F3NO — CID 102648765

IUPACN-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H26F3NO/c1-2-10-20-15(14-9-5-6-11-21-14)12-7-3-4-8-13(12)16(17,18)19/h9,12-13,15,20H,2-8,10-11H2,1H3
InChIKeyDKWJFNOVGYCITG-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.42
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 102648765) has the molecular formula C16H26F3NO and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID102648765
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H26F3NO/c1-2-10-20-15(14-9-5-6-11-21-14)12-7-3-4-8-13(12)16(17,18)19/h9,12-13,15,20H,2-8,10-11H2,1H3
InChIKeyDKWJFNOVGYCITG-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (CID 102648765) is N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is DKWJFNOVGYCITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c1-2-10-20-15(14-9-5-6-11-21-14)12-7-3-4-8-13(12)16(17,18)19/h9,12-13,15,20H,2-8,10-11H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 305.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 102648765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).