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

C16H26F3NO — CID 105179364

IUPACN-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H26F3NO/c1-2-9-20-15(12-6-5-10-21-11-12)13-7-3-4-8-14(13)16(17,18)19/h11,13-15,20H,2-10H2,1H3
InChIKeyZYGSENLLGHWKQL-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.42
Rot. Bonds5

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

N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 105179364) has the molecular formula C16H26F3NO and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID105179364
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H26F3NO/c1-2-9-20-15(12-6-5-10-21-11-12)13-7-3-4-8-14(13)16(17,18)19/h11,13-15,20H,2-10H2,1H3
InChIKeyZYGSENLLGHWKQL-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

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
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-[(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
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179256
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179285
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105179333
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105179349
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105179375
1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105179389

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (CID 105179364) is N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is CCCNC(C1=COCCC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is ZYGSENLLGHWKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c1-2-9-20-15(12-6-5-10-21-11-12)13-7-3-4-8-14(13)16(17,18)19/h11,13-15,20H,2-10H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-5-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-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 105179364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).