N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C17H30F3N — CID 105176328

IUPACN-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(C1CCCCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H30F3N/c1-2-21-16(13-7-5-3-4-6-8-13)14-9-11-15(12-10-14)17(18,19)20/h13-16,21H,2-12H2,1H3
InChIKeyYTBGYPSMVJYWRN-UHFFFAOYSA-N
MW305.43 g/mol
LogP5.30
Rot. Bonds4

About N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 105176328) has the molecular formula C17H30F3N and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID105176328
Molecular FormulaC17H30F3N
Molecular Weight305.43 g/mol
Exact Mass305.23
IUPAC NameN-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(C1CCCCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H30F3N/c1-2-21-16(13-7-5-3-4-6-8-13)14-9-11-15(12-10-14)17(18,19)20/h13-16,21H,2-12H2,1H3
InChIKeyYTBGYPSMVJYWRN-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107138706
N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105147187
1-cyclohexyl-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105080029
N-[cycloheptyl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65399653
N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine
CID 114981006
N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
CID 65412906
1-cyclohexyl-N-ethyl-2,2,2-trifluoroethanamine
CID 66205359
N-[cyclohexyl-(2-methylcyclopropyl)methyl]ethanamine
CID 65420198
1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105155375
[(4-ethylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313107
N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105139109
1-cyclohexyl-2-cyclopropyl-N-ethylpropan-1-amine
CID 114981084

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 105176328) is N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(C1CCCCCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is YTBGYPSMVJYWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N/c1-2-21-16(13-7-5-3-4-6-8-13)14-9-11-15(12-10-14)17(18,19)20/h13-16,21H,2-12H2,1H3.
What are the key properties of N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 305.43 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105176328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).