1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H23F3N2O — CID 65379455

IUPAC1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNCC1(NCC2CCCO2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-3-5-12(9-17,6-4-10)18-8-11-2-1-7-19-11/h10-11,18H,1-9,17H2
InChIKeyAWLCXMDESGBDSK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.20
Rot. Bonds4

About 1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 65379455) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID65379455
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNCC1(NCC2CCCO2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-3-5-12(9-17,6-4-10)18-8-11-2-1-7-19-11/h10-11,18H,1-9,17H2
InChIKeyAWLCXMDESGBDSK-UHFFFAOYSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 65379455) is 1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is NCC1(NCC2CCCO2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AWLCXMDESGBDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-3-5-12(9-17,6-4-10)18-8-11-2-1-7-19-11/h10-11,18H,1-9,17H2.
What are the key properties of 1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 280.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 65379455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).