1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C11H21F3N2 — CID 65377399

IUPAC1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCCC1CCCC(CN)(NCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-2-9-4-3-5-10(6-9,7-15)16-8-11(12,13)14/h9,16H,2-8,15H2,1H3
InChIKeyNURJEYQCKLGWIS-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.44
Rot. Bonds4

About 1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 65377399) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID65377399
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCCC1CCCC(CN)(NCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-2-9-4-3-5-10(6-9,7-15)16-8-11(12,13)14/h9,16H,2-8,15H2,1H3
InChIKeyNURJEYQCKLGWIS-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 65377399) is 1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is CCC1CCCC(CN)(NCC(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is NURJEYQCKLGWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-2-9-4-3-5-10(6-9,7-15)16-8-11(12,13)14/h9,16H,2-8,15H2,1H3.
What are the key properties of 1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 65377399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).