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

C16H26F3NO — CID 105179256

IUPACN-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H26F3NO/c1-2-8-20-15(13-6-4-9-21-11-13)12-5-3-7-14(10-12)16(17,18)19/h11-12,14-15,20H,2-10H2,1H3
InChIKeyOUMVNDRJKGWKQV-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.42
Rot. Bonds5

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

N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 105179256) 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-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID105179256
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H26F3NO/c1-2-8-20-15(13-6-4-9-21-11-13)12-5-3-7-14(10-12)16(17,18)19/h11-12,14-15,20H,2-10H2,1H3
InChIKeyOUMVNDRJKGWKQV-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

N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033089
N-[6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033146
N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105147551
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
CID 105077363
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105179436
N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105179214
3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105163942
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
CID 116660937
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
CID 105033094
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (CID 105179256) is N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is CCCNC(C1=COCCC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is OUMVNDRJKGWKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c1-2-8-20-15(13-6-4-9-21-11-13)12-5-3-7-14(10-12)16(17,18)19/h11-12,14-15,20H,2-10H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-5-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-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 105179256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).