N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H24F3NO — CID 43748973

IUPACN-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(NC1CCCC(OCC(F)(F)F)C1)C1(C)CC1
InChIInChI=1S/C14H24F3NO/c1-10(13(2)6-7-13)18-11-4-3-5-12(8-11)19-9-14(15,16)17/h10-12,18H,3-9H2,1-2H3
InChIKeyKXWCOAWIQVHNNQ-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.65
Rot. Bonds5

About N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748973) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748973
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(NC1CCCC(OCC(F)(F)F)C1)C1(C)CC1
InChIInChI=1S/C14H24F3NO/c1-10(13(2)6-7-13)18-11-4-3-5-12(8-11)19-9-14(15,16)17/h10-12,18H,3-9H2,1-2H3
InChIKeyKXWCOAWIQVHNNQ-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748973) is N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(NC1CCCC(OCC(F)(F)F)C1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is KXWCOAWIQVHNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-10(13(2)6-7-13)18-11-4-3-5-12(8-11)19-9-14(15,16)17/h10-12,18H,3-9H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).