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

C9H17F3N2 — CID 175420736

IUPAC1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESNCC1(NC(F)C(F)F)CCCCC1
InChIInChI=1S/C9H17F3N2/c10-7(11)8(12)14-9(6-13)4-2-1-3-5-9/h7-8,14H,1-6,13H2
InChIKeyXTPBXSZAAQPKRK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.80
Rot. Bonds4

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

1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 175420736) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID175420736
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESNCC1(NC(F)C(F)F)CCCCC1
InChIInChI=1S/C9H17F3N2/c10-7(11)8(12)14-9(6-13)4-2-1-3-5-9/h7-8,14H,1-6,13H2
InChIKeyXTPBXSZAAQPKRK-UHFFFAOYSA-N
XLogP1.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine (CID 175420736) is 1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine is NCC1(NC(F)C(F)F)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is XTPBXSZAAQPKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c10-7(11)8(12)14-9(6-13)4-2-1-3-5-9/h7-8,14H,1-6,13H2.
What are the key properties of 1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 210.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 175420736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).