1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine

C13H23F3N2 — CID 64758007

IUPAC1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(C1CC1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2/c1-2-18(11-5-6-11)12(9-17)7-3-4-10(8-12)13(14,15)16/h10-11H,2-9,17H2,1H3
InChIKeyUFXAKKKGKWBSKI-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.92
Rot. Bonds4

About 1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758007) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758007
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(C1CC1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2/c1-2-18(11-5-6-11)12(9-17)7-3-4-10(8-12)13(14,15)16/h10-11H,2-9,17H2,1H3
InChIKeyUFXAKKKGKWBSKI-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758007) is 1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine is CCN(C1CC1)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is UFXAKKKGKWBSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-2-18(11-5-6-11)12(9-17)7-3-4-10(8-12)13(14,15)16/h10-11H,2-9,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).