N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine

C14H24F3NO — CID 102609748

IUPACN-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1CCCC(NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C14H24F3NO/c1-19-13-7-3-6-12(9-13)18-11-5-2-4-10(8-11)14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyRESVNOJSNYQQQP-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.65
Rot. Bonds3

About N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 102609748) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID102609748
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1CCCC(NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C14H24F3NO/c1-19-13-7-3-6-12(9-13)18-11-5-2-4-10(8-11)14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyRESVNOJSNYQQQP-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 102609748) is N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine is COC1CCCC(NC2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RESVNOJSNYQQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-19-13-7-3-6-12(9-13)18-11-5-2-4-10(8-11)14(15,16)17/h10-13,18H,2-9H2,1H3.
What are the key properties of N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 102609748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).