N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine

C16H28F3NO — CID 105156873

IUPACN-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H28F3NO/c1-2-20-15(10-9-14-4-3-11-21-14)12-5-7-13(8-6-12)16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyQEKWKNHQTJJEQO-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.29
Rot. Bonds6

About N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine

N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 105156873) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID105156873
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC NameN-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H28F3NO/c1-2-20-15(10-9-14-4-3-11-21-14)12-5-7-13(8-6-12)16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyQEKWKNHQTJJEQO-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 105156873) is N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine is CCNC(CCC1CCCO1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is QEKWKNHQTJJEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-2-20-15(10-9-14-4-3-11-21-14)12-5-7-13(8-6-12)16(17,18)19/h12-15,20H,2-11H2,1H3.
What are the key properties of N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 105156873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).