(1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine

C14H25FN4 — CID 100709430

IUPAC(1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine
SMILESC[C@@H](C1CCCCC1)N(C)Cc1ncnn1CCF
InChIInChI=1S/C14H25FN4/c1-12(13-6-4-3-5-7-13)18(2)10-14-16-11-17-19(14)9-8-15/h11-13H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyRXAOLCJKKGTCMN-LBPRGKRZSA-N
MW268.38 g/mol
LogP2.65
Rot. Bonds6

About (1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine

(1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine (PubChem CID 100709430) has the molecular formula C14H25FN4 and a molecular weight of 268.38 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine
PubChem CID100709430
Molecular FormulaC14H25FN4
Molecular Weight268.38 g/mol
Exact Mass268.21
IUPAC Name(1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine
SMILESC[C@@H](C1CCCCC1)N(C)Cc1ncnn1CCF
InChIInChI=1S/C14H25FN4/c1-12(13-6-4-3-5-7-13)18(2)10-14-16-11-17-19(14)9-8-15/h11-13H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyRXAOLCJKKGTCMN-LBPRGKRZSA-N
XLogP2.65
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine (CID 100709430) is (1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine is C[C@@H](C1CCCCC1)N(C)Cc1ncnn1CCF.
What is the InChIKey of (1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine?
The InChIKey is RXAOLCJKKGTCMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25FN4/c1-12(13-6-4-3-5-7-13)18(2)10-14-16-11-17-19(14)9-8-15/h11-13H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine?
(1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine has a molecular weight of 268.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 100709430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).