1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine

C21H42FN — CID 123371486

IUPAC1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine
SMILESCCCC1CC(F)CCCCC(C)C(C)CC(C)C1C(C)NC
InChIInChI=1S/C21H42FN/c1-7-10-19-14-20(22)12-9-8-11-15(2)16(3)13-17(4)21(19)18(5)23-6/h15-21,23H,7-14H2,1-6H3
InChIKeyNNEHTMPLPFMNCT-UHFFFAOYSA-N
MW327.57 g/mol
LogP6.23
Rot. Bonds4

About 1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine

1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine (PubChem CID 123371486) has the molecular formula C21H42FN and a molecular weight of 327.57 g/mol. Its IUPAC name is 1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine
PubChem CID123371486
Molecular FormulaC21H42FN
Molecular Weight327.57 g/mol
Exact Mass327.33
IUPAC Name1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine
SMILESCCCC1CC(F)CCCCC(C)C(C)CC(C)C1C(C)NC
InChIInChI=1S/C21H42FN/c1-7-10-19-14-20(22)12-9-8-11-15(2)16(3)13-17(4)21(19)18(5)23-6/h15-21,23H,7-14H2,1-6H3
InChIKeyNNEHTMPLPFMNCT-UHFFFAOYSA-N
XLogP6.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.57
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine?
The IUPAC name of 1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine (CID 123371486) is 1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine.
What is the SMILES notation for 1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine?
The canonical SMILES for 1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine is CCCC1CC(F)CCCCC(C)C(C)CC(C)C1C(C)NC.
What is the InChIKey of 1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine?
The InChIKey is NNEHTMPLPFMNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42FN/c1-7-10-19-14-20(22)12-9-8-11-15(2)16(3)13-17(4)21(19)18(5)23-6/h15-21,23H,7-14H2,1-6H3.
What are the key properties of 1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine?
1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine has a molecular weight of 327.57 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine is sourced from PubChem (CID 123371486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).