1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine

C10H19F3N2 — CID 64756494

IUPAC1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-15(2)9(7-14)5-3-8(4-6-9)10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyWIXBREQJOCHCSR-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds2

About 1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756494) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756494
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-15(2)9(7-14)5-3-8(4-6-9)10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyWIXBREQJOCHCSR-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756494) is 1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine is CN(C)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WIXBREQJOCHCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-15(2)9(7-14)5-3-8(4-6-9)10(11,12)13/h8H,3-7,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).