1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

C12H25FN2 — CID 80694187

IUPAC1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNCCF)(N(C)C)C1
InChIInChI=1S/C12H25FN2/c1-11-5-4-6-12(9-11,15(2)3)10-14-8-7-13/h11,14H,4-10H2,1-3H3
InChIKeyKRVMTKNZNOSTSB-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.06
Rot. Bonds5

About 1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 80694187) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID80694187
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNCCF)(N(C)C)C1
InChIInChI=1S/C12H25FN2/c1-11-5-4-6-12(9-11,15(2)3)10-14-8-7-13/h11,14H,4-10H2,1-3H3
InChIKeyKRVMTKNZNOSTSB-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
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 1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 80694187) is 1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(CNCCF)(N(C)C)C1.
What is the InChIKey of 1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is KRVMTKNZNOSTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-11-5-4-6-12(9-11,15(2)3)10-14-8-7-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 216.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 80694187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).