1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

C11H21F3N2 — CID 64753680

IUPAC1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-3-16(2)10(8-15)6-4-9(5-7-10)11(12,13)14/h9H,3-8,15H2,1-2H3
InChIKeyHIPCRFPTQIKWIE-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.39
Rot. Bonds3

About 1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753680) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753680
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-3-16(2)10(8-15)6-4-9(5-7-10)11(12,13)14/h9H,3-8,15H2,1-2H3
InChIKeyHIPCRFPTQIKWIE-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753680) is 1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine is CCN(C)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HIPCRFPTQIKWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-16(2)10(8-15)6-4-9(5-7-10)11(12,13)14/h9H,3-8,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).