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

C16H26F3NO — CID 102648859

IUPACN-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H26F3NO/c1-2-9-20-15(14-8-3-4-10-21-14)12-6-5-7-13(11-12)16(17,18)19/h8,12-13,15,20H,2-7,9-11H2,1H3
InChIKeyXAKIMTBDCATKHY-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.42
Rot. Bonds5

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

N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 102648859) 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-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID102648859
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H26F3NO/c1-2-9-20-15(14-8-3-4-10-21-14)12-6-5-7-13(11-12)16(17,18)19/h8,12-13,15,20H,2-7,9-11H2,1H3
InChIKeyXAKIMTBDCATKHY-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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Related Compounds

2-(2,5-difluorocyclohexen-1-yl)oxy-N-[(4-methylcyclohex-3-en-1-yl)methyl]ethanamine
CID 69627092
2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
CID 91097016
N-(1-cyclohex-3-en-1-ylethyl)-6-(1-cyclopropylethyl)-4-(3-ethyl-5-fluorocyclohex-2-en-1-yl)-2-octoxycyclohex-2-en-1-amine
CID 123593176
6-butyl-N-[(1-ethenyl-4a-fluoro-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)methyl]-2-ethoxycyclohex-2-en-1-amine
CID 123747353
6-(2,5-Difluorocyclohexyl)-2-hept-5-en-3-yl-4-methyl-8-(oxan-4-ylmethoxy)-1,2,3,5,6,8a-hexahydroquinoline
CID 123993869
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648765
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648887
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102648944
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649283
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102649388
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102649506

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (CID 102648859) is N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is XAKIMTBDCATKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c1-2-9-20-15(14-8-3-4-10-21-14)12-6-5-7-13(11-12)16(17,18)19/h8,12-13,15,20H,2-7,9-11H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl-[3-(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-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 102648859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).