N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine

C10H19F3N2 — CID 64759304

IUPACN'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
SMILESNCCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C10H19F3N2/c11-10(12,13)8-4-1-2-5-9(8)15-7-3-6-14/h8-9,15H,1-7,14H2
InChIKeyWGBXNHIZTOCRLF-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.05
Rot. Bonds4

About N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine

N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine (PubChem CID 64759304) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
PubChem CID64759304
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
SMILESNCCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C10H19F3N2/c11-10(12,13)8-4-1-2-5-9(8)15-7-3-6-14/h8-9,15H,1-7,14H2
InChIKeyWGBXNHIZTOCRLF-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The IUPAC name of N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine (CID 64759304) is N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine is NCCCNC1CCCCC1C(F)(F)F.
What is the InChIKey of N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The InChIKey is WGBXNHIZTOCRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c11-10(12,13)8-4-1-2-5-9(8)15-7-3-6-14/h8-9,15H,1-7,14H2.
What are the key properties of N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine is sourced from PubChem (CID 64759304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).